NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
574580 |
2mhf   |
19621 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mhf
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1208
_Distance_constraint_stats_list.Viol_count 2693
_Distance_constraint_stats_list.Viol_total 5779.576
_Distance_constraint_stats_list.Viol_max 0.510
_Distance_constraint_stats_list.Viol_rms 0.0462
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0120
_Distance_constraint_stats_list.Viol_average_violations_only 0.1073
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ASN 0.020 0.016 5 0 "[ . 1 . 2]"
1 4 GLU 0.031 0.030 1 0 "[ . 1 . 2]"
1 5 LEU 2.961 0.217 11 0 "[ . 1 . 2]"
1 6 LEU 4.043 0.356 11 0 "[ . 1 . 2]"
1 7 GLN 1.244 0.097 14 0 "[ . 1 . 2]"
1 8 LEU 3.266 0.217 11 0 "[ . 1 . 2]"
1 9 PRO 1.641 0.212 15 0 "[ . 1 . 2]"
1 10 LEU 23.094 0.442 11 0 "[ . 1 . 2]"
1 11 PHE 27.799 0.442 11 0 "[ . 1 . 2]"
1 12 GLU 4.183 0.272 1 0 "[ . 1 . 2]"
1 13 SER 0.036 0.022 7 0 "[ . 1 . 2]"
1 14 ALA 8.243 0.297 5 0 "[ . 1 . 2]"
1 15 SER 0.009 0.006 19 0 "[ . 1 . 2]"
1 16 ARG 5.478 0.297 5 0 "[ . 1 . 2]"
1 17 GLY 0.009 0.006 19 0 "[ . 1 . 2]"
1 18 CYS 10.258 0.279 4 0 "[ . 1 . 2]"
1 19 LEU 2.427 0.239 1 0 "[ . 1 . 2]"
1 20 ARG 5.653 0.280 13 0 "[ . 1 . 2]"
1 21 SER 9.389 0.279 4 0 "[ . 1 . 2]"
1 22 LEU 19.790 0.472 7 0 "[ . 1 . 2]"
1 23 SER 7.693 0.407 13 0 "[ . 1 . 2]"
1 24 LEU 5.359 0.166 16 0 "[ . 1 . 2]"
1 25 ILE 10.562 0.194 9 0 "[ . 1 . 2]"
1 26 ILE 11.411 0.407 13 0 "[ . 1 . 2]"
1 27 LYS 4.679 0.286 2 0 "[ . 1 . 2]"
1 28 THR 0.017 0.010 10 0 "[ . 1 . 2]"
1 29 SER 1.246 0.103 7 0 "[ . 1 . 2]"
1 30 PHE 2.358 0.151 3 0 "[ . 1 . 2]"
1 31 CYS 1.954 0.112 9 0 "[ . 1 . 2]"
1 32 ALA 2.853 0.165 16 0 "[ . 1 . 2]"
1 33 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 14.311 0.255 16 0 "[ . 1 . 2]"
1 36 PHE 1.039 0.098 1 0 "[ . 1 . 2]"
1 37 LEU 0.585 0.081 20 0 "[ . 1 . 2]"
1 38 ILE 16.640 0.390 8 0 "[ . 1 . 2]"
1 39 ARG 12.503 0.386 18 0 "[ . 1 . 2]"
1 40 GLN 4.955 0.293 17 0 "[ . 1 . 2]"
1 41 GLY 1.468 0.142 17 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ALA 0.679 0.183 17 0 "[ . 1 . 2]"
1 44 LEU 3.589 0.238 18 0 "[ . 1 . 2]"
1 45 GLN 0.096 0.071 18 0 "[ . 1 . 2]"
1 46 ALA 1.407 0.222 7 0 "[ . 1 . 2]"
1 47 ILE 0.918 0.090 17 0 "[ . 1 . 2]"
1 48 TYR 8.467 0.446 13 0 "[ . 1 . 2]"
1 49 PHE 9.466 0.251 15 0 "[ . 1 . 2]"
1 50 VAL 3.595 0.227 9 0 "[ . 1 . 2]"
1 51 CYS 0.934 0.091 13 0 "[ . 1 . 2]"
1 52 SER 0.274 0.049 3 0 "[ . 1 . 2]"
1 53 GLY 0.358 0.051 17 0 "[ . 1 . 2]"
1 54 SER 1.447 0.103 4 0 "[ . 1 . 2]"
1 55 MET 1.972 0.114 11 0 "[ . 1 . 2]"
1 56 GLU 4.742 0.203 9 0 "[ . 1 . 2]"
1 57 VAL 6.035 0.381 17 0 "[ . 1 . 2]"
1 58 LEU 2.936 0.140 16 0 "[ . 1 . 2]"
1 59 LYS 5.821 0.144 6 0 "[ . 1 . 2]"
1 60 ASP 0.063 0.060 1 0 "[ . 1 . 2]"
1 61 ASN 0.354 0.137 20 0 "[ . 1 . 2]"
1 62 THR 4.300 0.140 16 0 "[ . 1 . 2]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 4.907 0.213 4 0 "[ . 1 . 2]"
1 65 ALA 1.468 0.203 9 0 "[ . 1 . 2]"
1 66 ILE 1.890 0.286 3 0 "[ . 1 . 2]"
1 67 LEU 1.119 0.096 7 0 "[ . 1 . 2]"
1 68 GLY 0.213 0.051 17 0 "[ . 1 . 2]"
1 69 LYS 5.705 0.205 18 0 "[ . 1 . 2]"
1 70 GLY 4.933 0.244 3 0 "[ . 1 . 2]"
1 71 ASP 0.317 0.071 3 0 "[ . 1 . 2]"
1 72 LEU 1.192 0.251 15 0 "[ . 1 . 2]"
1 73 ILE 10.631 0.446 13 0 "[ . 1 . 2]"
1 74 GLY 0.014 0.014 16 0 "[ . 1 . 2]"
1 75 SER 1.867 0.112 12 0 "[ . 1 . 2]"
1 76 ASP 0.365 0.070 2 0 "[ . 1 . 2]"
1 77 SER 0.325 0.048 7 0 "[ . 1 . 2]"
1 78 LEU 4.741 0.303 7 0 "[ . 1 . 2]"
1 79 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 0.884 0.236 17 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 GLN 5.341 0.364 17 0 "[ . 1 . 2]"
1 83 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ILE 2.428 0.268 18 0 "[ . 1 . 2]"
1 85 LYS 5.363 0.183 17 0 "[ . 1 . 2]"
1 86 THR 4.599 0.268 18 0 "[ . 1 . 2]"
1 87 ASN 0.368 0.052 17 0 "[ . 1 . 2]"
1 88 ALA 7.450 0.213 4 0 "[ . 1 . 2]"
1 89 ASN 5.629 0.390 8 0 "[ . 1 . 2]"
1 90 VAL 11.803 0.381 17 0 "[ . 1 . 2]"
1 91 LYS 0.585 0.081 20 0 "[ . 1 . 2]"
1 92 ALA 1.431 0.114 11 0 "[ . 1 . 2]"
1 93 LEU 3.123 0.152 8 0 "[ . 1 . 2]"
1 94 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 TYR 1.701 0.103 4 0 "[ . 1 . 2]"
1 96 CYS 0.795 0.082 6 0 "[ . 1 . 2]"
1 97 ASP 0.802 0.082 6 0 "[ . 1 . 2]"
1 98 LEU 1.265 0.087 7 0 "[ . 1 . 2]"
1 99 GLN 0.018 0.010 10 0 "[ . 1 . 2]"
1 100 TYR 2.355 0.222 7 0 "[ . 1 . 2]"
1 101 ILE 3.392 0.197 8 0 "[ . 1 . 2]"
1 102 SER 0.897 0.121 4 0 "[ . 1 . 2]"
1 103 LEU 1.011 0.186 18 0 "[ . 1 . 2]"
1 104 LYS 0.999 0.144 12 0 "[ . 1 . 2]"
1 105 GLY 2.621 0.145 13 0 "[ . 1 . 2]"
1 106 LEU 1.273 0.198 13 0 "[ . 1 . 2]"
1 107 ARG 18.112 0.510 17 1 "[ . 1 . + 2]"
1 108 GLU 7.486 0.510 17 1 "[ . 1 . + 2]"
1 109 VAL 12.669 0.472 7 0 "[ . 1 . 2]"
1 110 LEU 1.404 0.198 13 0 "[ . 1 . 2]"
1 111 ARG 0.227 0.135 12 0 "[ . 1 . 2]"
1 112 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 TYR 0.073 0.026 17 0 "[ . 1 . 2]"
1 114 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 GLU 1.776 0.156 7 0 "[ . 1 . 2]"
1 116 TYR 1.996 0.156 7 0 "[ . 1 . 2]"
1 117 ALA 0.613 0.085 6 0 "[ . 1 . 2]"
1 118 GLN 4.897 0.170 11 0 "[ . 1 . 2]"
1 119 LYS 0.307 0.051 9 0 "[ . 1 . 2]"
1 120 PHE 14.179 0.430 6 0 "[ . 1 . 2]"
1 121 VAL 2.496 0.164 12 0 "[ . 1 . 2]"
1 122 SER 0.132 0.038 6 0 "[ . 1 . 2]"
1 123 GLU 0.212 0.054 17 0 "[ . 1 . 2]"
1 124 ILE 4.326 0.204 17 0 "[ . 1 . 2]"
1 125 GLN 7.000 0.278 12 0 "[ . 1 . 2]"
1 126 HIS 3.129 0.194 1 0 "[ . 1 . 2]"
1 127 ASP 0.070 0.049 14 0 "[ . 1 . 2]"
1 128 LEU 0.023 0.023 13 0 "[ . 1 . 2]"
1 129 THR 0.317 0.071 3 0 "[ . 1 . 2]"
1 130 TYR 2.698 0.233 6 0 "[ . 1 . 2]"
1 131 ASN 0.019 0.009 4 0 "[ . 1 . 2]"
1 132 LEU 2.717 0.233 6 0 "[ . 1 . 2]"
1 133 ARG 3.336 0.112 12 0 "[ . 1 . 2]"
1 134 GLU 0.412 0.052 17 0 "[ . 1 . 2]"
1 135 GLY 0.218 0.058 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 48 TYR HB3 1 49 PHE H 6.000 . 6.000 2.680 2.527 3.090 . 0 0 "[ . 1 . 2]" 1
2 1 49 PHE H 1 99 GLN HG2 6.000 . 6.000 5.047 2.663 5.974 . 0 0 "[ . 1 . 2]" 1
3 1 48 TYR HA 1 49 PHE H 3.600 . 3.600 2.241 2.170 2.279 . 0 0 "[ . 1 . 2]" 1
4 1 44 LEU HA 1 45 GLN H 3.600 . 3.600 2.157 2.144 2.174 . 0 0 "[ . 1 . 2]" 1
5 1 44 LEU HB3 1 45 GLN H 5.200 . 5.200 4.200 4.028 4.448 . 0 0 "[ . 1 . 2]" 1
6 1 72 LEU HA 1 73 ILE H 3.400 . 3.400 2.208 2.157 2.265 . 0 0 "[ . 1 . 2]" 1
7 1 72 LEU HB3 1 73 ILE H 5.600 . 5.600 4.001 3.855 4.185 . 0 0 "[ . 1 . 2]" 1
8 1 72 LEU HB2 1 73 ILE H 4.800 . 4.800 4.070 3.872 4.246 . 0 0 "[ . 1 . 2]" 1
9 1 59 LYS HA 1 60 ASP H 3.300 . 3.300 2.228 2.211 2.242 . 0 0 "[ . 1 . 2]" 1
10 1 59 LYS HB3 1 60 ASP H 6.000 . 6.000 3.718 3.290 4.132 . 0 0 "[ . 1 . 2]" 1
11 1 59 LYS HB2 1 60 ASP H 6.000 . 6.000 4.108 3.882 4.330 . 0 0 "[ . 1 . 2]" 1
12 1 67 LEU HA 1 68 GLY H 3.100 . 3.100 2.361 2.340 2.378 . 0 0 "[ . 1 . 2]" 1
13 1 67 LEU HB3 1 68 GLY H 4.300 . 4.300 3.245 3.207 3.292 . 0 0 "[ . 1 . 2]" 1
14 1 128 LEU HA 1 129 THR H 6.000 . 6.000 2.171 2.137 2.215 . 0 0 "[ . 1 . 2]" 1
15 1 128 LEU HB3 1 129 THR H 5.600 . 5.600 4.318 3.984 4.524 . 0 0 "[ . 1 . 2]" 1
16 1 128 LEU HB2 1 129 THR H 5.800 . 5.800 4.401 4.137 4.669 . 0 0 "[ . 1 . 2]" 1
17 1 86 THR HA 1 87 ASN H 3.600 . 3.600 2.133 2.106 2.166 . 0 0 "[ . 1 . 2]" 1
18 1 86 THR HB 1 87 ASN H 4.300 . 4.300 4.100 3.505 4.301 0.001 18 0 "[ . 1 . 2]" 1
19 1 101 ILE HA 1 102 SER H 2.800 . 2.800 2.303 2.171 2.364 . 0 0 "[ . 1 . 2]" 1
20 1 101 ILE HB 1 102 SER H 6.000 . 6.000 3.451 3.294 3.886 . 0 0 "[ . 1 . 2]" 1
21 1 55 MET HA 1 56 GLU H 3.500 . 3.500 2.411 2.355 2.468 . 0 0 "[ . 1 . 2]" 1
22 1 55 MET HB3 1 56 GLU H 3.800 . 3.800 3.612 3.429 3.782 . 0 0 "[ . 1 . 2]" 1
23 1 55 MET HB2 1 56 GLU H 4.200 . 4.200 2.619 2.292 3.860 . 0 0 "[ . 1 . 2]" 1
24 1 63 VAL HA 1 64 LEU H 3.400 . 3.400 2.172 2.145 2.196 . 0 0 "[ . 1 . 2]" 1
25 1 63 VAL HB 1 64 LEU H 6.000 . 6.000 3.721 3.594 4.448 . 0 0 "[ . 1 . 2]" 1
26 1 43 ALA HA 1 44 LEU H 3.300 . 3.300 2.175 2.146 2.282 . 0 0 "[ . 1 . 2]" 1
27 1 99 GLN HA 1 100 TYR H 3.300 . 3.300 2.207 2.188 2.269 . 0 0 "[ . 1 . 2]" 1
28 1 99 GLN HB3 1 100 TYR H 6.000 . 6.000 3.728 3.232 4.317 . 0 0 "[ . 1 . 2]" 1
29 1 99 GLN HB2 1 100 TYR H 4.300 . 4.300 3.964 3.091 4.301 0.001 20 0 "[ . 1 . 2]" 1
30 1 98 LEU HA 1 99 GLN H 3.600 . 3.600 2.168 2.117 2.259 . 0 0 "[ . 1 . 2]" 1
31 1 98 LEU HB3 1 99 GLN H 4.700 . 4.700 3.182 2.740 3.945 . 0 0 "[ . 1 . 2]" 1
32 1 98 LEU HB2 1 99 GLN H 5.800 . 5.800 3.887 3.445 4.382 . 0 0 "[ . 1 . 2]" 1
33 1 66 ILE HA 1 67 LEU H 3.300 . 3.300 2.243 2.209 2.280 . 0 0 "[ . 1 . 2]" 1
34 1 66 ILE HB 1 67 LEU H 6.000 . 6.000 4.475 4.202 4.547 . 0 0 "[ . 1 . 2]" 1
35 1 90 VAL HA 1 91 LYS H 3.300 . 3.300 2.125 2.099 2.144 . 0 0 "[ . 1 . 2]" 1
36 1 90 VAL HB 1 91 LYS H 5.600 . 5.600 4.334 4.233 4.443 . 0 0 "[ . 1 . 2]" 1
37 1 89 ASN HA 1 90 VAL H 3.400 . 3.400 2.410 2.264 2.478 . 0 0 "[ . 1 . 2]" 1
38 1 89 ASN HB2 1 90 VAL H 5.100 . 5.100 3.759 3.284 4.482 . 0 0 "[ . 1 . 2]" 1
39 1 35 GLU HA 1 36 PHE H 3.000 . 3.000 2.153 2.141 2.174 . 0 0 "[ . 1 . 2]" 1
40 1 35 GLU HB3 1 36 PHE H 3.800 . 3.800 3.852 3.803 3.898 0.098 1 0 "[ . 1 . 2]" 1
41 1 69 LYS HA 1 70 GLY H 3.300 . 3.300 2.155 2.137 2.193 . 0 0 "[ . 1 . 2]" 1
42 1 69 LYS HB3 1 70 GLY H 5.300 . 5.300 3.300 2.998 4.039 . 0 0 "[ . 1 . 2]" 1
43 1 92 ALA HA 1 93 LEU H 3.800 . 3.800 2.144 2.125 2.158 . 0 0 "[ . 1 . 2]" 1
44 1 114 PRO HA 1 115 GLU H 4.800 . 4.800 3.597 3.583 3.607 . 0 0 "[ . 1 . 2]" 1
45 1 114 PRO HB3 1 115 GLU H 4.700 . 4.700 4.048 4.016 4.099 . 0 0 "[ . 1 . 2]" 1
46 1 114 PRO HB2 1 115 GLU H 2.800 . 2.800 2.689 2.641 2.782 . 0 0 "[ . 1 . 2]" 1
47 1 97 ASP HA 1 98 LEU H 3.300 . 3.300 2.182 2.170 2.199 . 0 0 "[ . 1 . 2]" 1
48 1 97 ASP HB2 1 98 LEU H 6.000 . 6.000 4.168 3.402 4.480 . 0 0 "[ . 1 . 2]" 1
49 1 15 SER HA 1 16 ARG H 3.500 . 3.500 2.286 2.259 2.338 . 0 0 "[ . 1 . 2]" 1
50 1 15 SER HB3 1 16 ARG H 4.700 . 4.700 3.621 3.050 3.997 . 0 0 "[ . 1 . 2]" 1
51 1 57 VAL HA 1 58 LEU H 3.300 . 3.300 2.185 2.133 2.227 . 0 0 "[ . 1 . 2]" 1
52 1 57 VAL HB 1 58 LEU H 5.000 . 5.000 3.331 3.186 3.565 . 0 0 "[ . 1 . 2]" 1
53 1 83 VAL HA 1 84 ILE H 3.000 . 3.000 2.161 2.137 2.212 . 0 0 "[ . 1 . 2]" 1
54 1 83 VAL HB 1 84 ILE H 5.200 . 5.200 3.806 3.068 4.342 . 0 0 "[ . 1 . 2]" 1
55 1 28 THR HA 1 29 SER H 3.100 . 3.100 2.162 2.127 2.220 . 0 0 "[ . 1 . 2]" 1
56 1 28 THR HB 1 29 SER H 4.800 . 4.800 3.469 2.953 4.217 . 0 0 "[ . 1 . 2]" 1
57 1 134 GLU HA 1 135 GLY H 3.300 . 3.300 2.235 2.156 2.278 . 0 0 "[ . 1 . 2]" 1
58 1 134 GLU HB3 1 135 GLY H 6.000 . 6.000 3.949 3.673 4.317 . 0 0 "[ . 1 . 2]" 1
59 1 134 GLU HB2 1 135 GLY H 4.900 . 4.900 3.127 2.784 4.477 . 0 0 "[ . 1 . 2]" 1
60 1 50 VAL HA 1 51 CYS H 3.600 . 3.600 2.173 2.153 2.195 . 0 0 "[ . 1 . 2]" 1
61 1 116 TYR HA 1 117 ALA H 4.300 . 4.300 3.490 3.479 3.498 . 0 0 "[ . 1 . 2]" 1
62 1 116 TYR HB2 1 117 ALA H 4.800 . 4.800 2.897 2.726 3.318 . 0 0 "[ . 1 . 2]" 1
63 1 38 ILE HA 1 39 ARG H 3.300 . 3.300 2.243 2.196 2.295 . 0 0 "[ . 1 . 2]" 1
64 1 38 ILE HB 1 39 ARG H 4.500 . 4.500 3.632 2.572 4.277 . 0 0 "[ . 1 . 2]" 1
65 1 133 ARG HA 1 134 GLU H 3.300 . 3.300 2.293 2.277 2.313 . 0 0 "[ . 1 . 2]" 1
66 1 133 ARG HB3 1 134 GLU H 5.200 . 5.200 3.244 2.679 4.184 . 0 0 "[ . 1 . 2]" 1
67 1 60 ASP HA 1 61 ASN H 4.600 . 4.600 2.777 2.685 2.892 . 0 0 "[ . 1 . 2]" 1
68 1 16 ARG HA 1 17 GLY H 4.700 . 4.700 3.400 3.385 3.409 . 0 0 "[ . 1 . 2]" 1
69 1 16 ARG HB3 1 17 GLY H 5.400 . 5.400 3.877 3.512 4.188 . 0 0 "[ . 1 . 2]" 1
70 1 31 CYS HA 1 32 ALA H 3.000 . 3.000 2.285 2.265 2.305 . 0 0 "[ . 1 . 2]" 1
71 1 31 CYS HB3 1 32 ALA H 5.400 . 5.400 2.740 2.681 2.797 . 0 0 "[ . 1 . 2]" 1
72 1 31 CYS HB2 1 32 ALA H 6.000 . 6.000 3.664 3.556 3.781 . 0 0 "[ . 1 . 2]" 1
73 1 47 ILE HA 1 48 TYR H 3.600 . 3.600 2.233 2.196 2.319 . 0 0 "[ . 1 . 2]" 1
74 1 47 ILE HB 1 48 TYR H 5.200 . 5.200 4.094 3.899 4.306 . 0 0 "[ . 1 . 2]" 1
75 1 85 LYS HA 1 86 THR H 3.300 . 3.300 2.205 2.151 2.454 . 0 0 "[ . 1 . 2]" 1
76 1 85 LYS HB3 1 86 THR H 6.000 . 6.000 3.627 2.565 3.917 . 0 0 "[ . 1 . 2]" 1
77 1 85 LYS HB2 1 86 THR H 5.400 . 5.400 3.244 2.815 4.297 . 0 0 "[ . 1 . 2]" 1
78 1 91 LYS HA 1 92 ALA H 3.100 . 3.100 2.142 2.133 2.164 . 0 0 "[ . 1 . 2]" 1
79 1 91 LYS QB 1 92 ALA H 6.000 . 6.000 3.838 3.793 3.859 . 0 0 "[ . 1 . 2]" 1
80 1 131 ASN HA 1 132 LEU H 3.600 . 3.600 2.169 2.144 2.244 . 0 0 "[ . 1 . 2]" 1
81 1 131 ASN HB3 1 132 LEU H 6.000 . 6.000 4.462 3.723 4.596 . 0 0 "[ . 1 . 2]" 1
82 1 131 ASN HB2 1 132 LEU H 6.000 . 6.000 3.937 3.561 4.626 . 0 0 "[ . 1 . 2]" 1
83 1 58 LEU HA 1 59 LYS H 3.100 . 3.100 2.121 2.101 2.136 . 0 0 "[ . 1 . 2]" 1
84 1 58 LEU HB3 1 59 LYS H 5.800 . 5.800 3.781 3.551 4.111 . 0 0 "[ . 1 . 2]" 1
85 1 54 SER HA 1 55 MET H 3.300 . 3.300 2.225 2.196 2.266 . 0 0 "[ . 1 . 2]" 1
86 1 54 SER HB3 1 55 MET H 6.000 . 6.000 3.330 2.910 4.253 . 0 0 "[ . 1 . 2]" 1
87 1 54 SER HB2 1 55 MET H 4.900 . 4.900 3.477 2.936 3.673 . 0 0 "[ . 1 . 2]" 1
88 1 95 TYR HA 1 96 CYS H 3.300 . 3.300 2.140 2.133 2.151 . 0 0 "[ . 1 . 2]" 1
89 1 95 TYR HB3 1 96 CYS H 5.400 . 5.400 3.831 3.698 3.982 . 0 0 "[ . 1 . 2]" 1
90 1 95 TYR HB2 1 96 CYS H 5.400 . 5.400 3.710 3.598 3.834 . 0 0 "[ . 1 . 2]" 1
91 1 84 ILE HA 1 85 LYS H 3.000 . 3.000 2.147 2.083 2.215 . 0 0 "[ . 1 . 2]" 1
92 1 84 ILE HB 1 85 LYS H 4.700 . 4.700 4.059 3.341 4.411 . 0 0 "[ . 1 . 2]" 1
93 1 26 ILE HA 1 27 LYS H 3.300 . 3.300 2.187 2.169 2.205 . 0 0 "[ . 1 . 2]" 1
94 1 26 ILE HB 1 27 LYS H 6.000 . 6.000 4.410 4.308 4.478 . 0 0 "[ . 1 . 2]" 1
95 1 30 PHE HA 1 31 CYS H 3.100 . 3.100 2.243 2.172 2.354 . 0 0 "[ . 1 . 2]" 1
96 1 30 PHE HB3 1 31 CYS H 6.000 . 6.000 3.836 3.235 4.213 . 0 0 "[ . 1 . 2]" 1
97 1 30 PHE HB2 1 31 CYS H 4.800 . 4.800 2.966 2.631 3.447 . 0 0 "[ . 1 . 2]" 1
98 1 88 ALA HA 1 89 ASN H 3.600 . 3.600 2.680 2.643 2.759 . 0 0 "[ . 1 . 2]" 1
99 1 105 GLY HA3 1 106 LEU H 4.000 . 4.000 2.711 2.680 2.733 . 0 0 "[ . 1 . 2]" 1
100 1 105 GLY HA2 1 106 LEU H 4.500 . 4.500 3.550 3.519 3.560 . 0 0 "[ . 1 . 2]" 1
101 1 36 PHE HA 1 37 LEU H 3.500 . 3.500 2.153 2.138 2.169 . 0 0 "[ . 1 . 2]" 1
102 1 36 PHE HB3 1 37 LEU H 6.000 . 6.000 3.644 3.512 3.898 . 0 0 "[ . 1 . 2]" 1
103 1 36 PHE HB2 1 37 LEU H 6.000 . 6.000 4.252 3.995 4.597 . 0 0 "[ . 1 . 2]" 1
104 1 40 GLN HA 1 41 GLY H 3.300 . 3.300 2.143 2.120 2.158 . 0 0 "[ . 1 . 2]" 1
105 1 40 GLN HB3 1 41 GLY H 6.000 . 6.000 4.155 3.378 4.431 . 0 0 "[ . 1 . 2]" 1
106 1 102 SER HA 1 103 LEU H 3.500 . 3.500 2.148 2.116 2.176 . 0 0 "[ . 1 . 2]" 1
107 1 102 SER HB2 1 103 LEU H 6.000 . 6.000 3.383 3.053 4.318 . 0 0 "[ . 1 . 2]" 1
108 1 42 ASP HA 1 43 ALA H 2.700 . 2.700 2.555 2.314 2.622 . 0 0 "[ . 1 . 2]" 1
109 1 42 ASP HB3 1 43 ALA H 4.500 . 4.500 2.160 1.975 2.584 . 0 0 "[ . 1 . 2]" 1
110 1 42 ASP HB2 1 43 ALA H 4.500 . 4.500 3.611 3.362 3.900 . 0 0 "[ . 1 . 2]" 1
111 1 94 THR HA 1 95 TYR H 3.500 . 3.500 2.287 2.259 2.337 . 0 0 "[ . 1 . 2]" 1
112 1 94 THR HB 1 95 TYR H 4.100 . 4.100 3.155 2.806 3.862 . 0 0 "[ . 1 . 2]" 1
113 1 82 GLN HA 1 83 VAL H 3.300 . 3.300 2.435 2.115 2.507 . 0 0 "[ . 1 . 2]" 1
114 1 82 GLN HB3 1 83 VAL H 6.000 . 6.000 2.912 2.444 4.565 . 0 0 "[ . 1 . 2]" 1
115 1 109 VAL HA 1 110 LEU H 4.600 . 4.600 3.520 3.462 3.553 . 0 0 "[ . 1 . 2]" 1
116 1 109 VAL HB 1 110 LEU H 3.800 . 3.800 3.286 3.114 3.540 . 0 0 "[ . 1 . 2]" 1
117 1 103 LEU HA 1 104 LYS H 3.900 . 3.900 3.516 3.476 3.559 . 0 0 "[ . 1 . 2]" 1
118 1 103 LEU HB3 1 104 LYS H 3.100 . 3.100 2.909 2.679 3.132 0.032 10 0 "[ . 1 . 2]" 1
119 1 103 LEU HB2 1 104 LYS H 4.100 . 4.100 3.533 3.127 3.961 . 0 0 "[ . 1 . 2]" 1
120 1 56 GLU HA 1 57 VAL H 3.100 . 3.100 2.328 2.284 2.373 . 0 0 "[ . 1 . 2]" 1
121 1 56 GLU HB3 1 57 VAL H 5.000 . 5.000 3.670 3.019 3.812 . 0 0 "[ . 1 . 2]" 1
122 1 119 LYS HA 1 120 PHE H 6.000 . 6.000 3.521 3.515 3.537 . 0 0 "[ . 1 . 2]" 1
123 1 119 LYS HB3 1 120 PHE H 3.600 . 3.600 3.155 2.990 3.430 . 0 0 "[ . 1 . 2]" 1
124 1 106 LEU HB3 1 107 ARG H 3.100 . 3.100 2.638 2.454 2.758 . 0 0 "[ . 1 . 2]" 1
125 1 106 LEU HB2 1 107 ARG H 4.500 . 4.500 3.947 3.642 4.061 . 0 0 "[ . 1 . 2]" 1
126 1 29 SER HA 1 30 PHE H 3.100 . 3.100 2.259 2.201 2.397 . 0 0 "[ . 1 . 2]" 1
127 1 29 SER HB3 1 30 PHE H 3.900 . 3.900 3.920 3.851 4.003 0.103 7 0 "[ . 1 . 2]" 1
128 1 29 SER HB2 1 30 PHE H 4.800 . 4.800 3.016 2.585 3.269 . 0 0 "[ . 1 . 2]" 1
129 1 71 ASP HA 1 72 LEU H 3.600 . 3.600 2.361 2.147 2.555 . 0 0 "[ . 1 . 2]" 1
130 1 71 ASP HB3 1 72 LEU H 6.000 . 6.000 3.916 3.130 4.297 . 0 0 "[ . 1 . 2]" 1
131 1 71 ASP HB2 1 72 LEU H 5.200 . 5.200 2.691 2.208 3.929 . 0 0 "[ . 1 . 2]" 1
132 1 33 PRO HA 1 34 GLY H 3.000 . 3.000 2.193 2.180 2.217 . 0 0 "[ . 1 . 2]" 1
133 1 33 PRO HB3 1 34 GLY H 6.000 . 6.000 3.723 3.636 3.766 . 0 0 "[ . 1 . 2]" 1
134 1 33 PRO HB2 1 34 GLY H 5.000 . 5.000 3.930 3.743 4.011 . 0 0 "[ . 1 . 2]" 1
135 1 22 LEU HA 1 23 SER H 6.000 . 6.000 3.563 3.539 3.579 . 0 0 "[ . 1 . 2]" 1
136 1 22 LEU HB3 1 23 SER H 3.600 . 3.600 2.689 2.515 3.002 . 0 0 "[ . 1 . 2]" 1
137 1 22 LEU HB2 1 23 SER H 5.200 . 5.200 2.936 2.775 3.043 . 0 0 "[ . 1 . 2]" 1
138 1 52 SER HA 1 53 GLY H 3.300 . 3.300 2.238 2.187 2.398 . 0 0 "[ . 1 . 2]" 1
139 1 52 SER HB3 1 53 GLY H 4.300 . 4.300 3.921 2.973 4.349 0.049 3 0 "[ . 1 . 2]" 1
140 1 18 CYS HA 1 19 LEU H 5.400 . 5.400 3.529 3.489 3.583 . 0 0 "[ . 1 . 2]" 1
141 1 18 CYS HB3 1 19 LEU H 4.500 . 4.500 2.921 2.674 3.106 . 0 0 "[ . 1 . 2]" 1
142 1 18 CYS HB2 1 19 LEU H 4.300 . 4.300 3.335 3.031 3.533 . 0 0 "[ . 1 . 2]" 1
143 1 76 ASP HA 1 77 SER H 4.700 . 4.700 2.711 2.676 2.760 . 0 0 "[ . 1 . 2]" 1
144 1 76 ASP HB3 1 77 SER H 4.500 . 4.500 3.208 2.327 3.631 . 0 0 "[ . 1 . 2]" 1
145 1 76 ASP HB2 1 77 SER H 5.200 . 5.200 2.470 1.769 3.651 . 0 0 "[ . 1 . 2]" 1
146 1 65 ALA HA 1 66 ILE H 3.000 . 3.000 2.149 2.134 2.167 . 0 0 "[ . 1 . 2]" 1
147 1 75 SER HA 1 76 ASP H 4.300 . 4.300 2.219 2.163 2.318 . 0 0 "[ . 1 . 2]" 1
148 1 75 SER HB3 1 76 ASP H 5.400 . 5.400 3.542 3.215 3.836 . 0 0 "[ . 1 . 2]" 1
149 1 75 SER HB2 1 76 ASP H 6.000 . 6.000 3.149 2.615 3.448 . 0 0 "[ . 1 . 2]" 1
150 1 61 ASN HA 1 62 THR H 4.500 . 4.500 3.396 3.335 3.438 . 0 0 "[ . 1 . 2]" 1
151 1 61 ASN HB3 1 62 THR H 5.800 . 5.800 3.580 3.279 4.476 . 0 0 "[ . 1 . 2]" 1
152 1 61 ASN HB2 1 62 THR H 5.400 . 5.400 3.863 3.258 4.190 . 0 0 "[ . 1 . 2]" 1
153 1 120 PHE HA 1 121 VAL H 4.100 . 4.100 3.561 3.533 3.586 . 0 0 "[ . 1 . 2]" 1
154 1 120 PHE HB3 1 121 VAL H 4.300 . 4.300 3.169 2.344 3.351 . 0 0 "[ . 1 . 2]" 1
155 1 120 PHE HB2 1 121 VAL H 5.200 . 5.200 4.003 3.159 4.196 . 0 0 "[ . 1 . 2]" 1
156 1 12 GLU HB3 1 13 SER H 5.200 . 5.200 2.838 2.581 3.302 . 0 0 "[ . 1 . 2]" 1
157 1 12 GLU HB2 1 13 SER H 5.000 . 5.000 3.913 3.413 4.150 . 0 0 "[ . 1 . 2]" 1
158 1 123 GLU HA 1 124 ILE H 5.600 . 5.600 3.495 3.409 3.579 . 0 0 "[ . 1 . 2]" 1
159 1 123 GLU HB2 1 124 ILE H 6.000 . 6.000 3.327 2.573 4.100 . 0 0 "[ . 1 . 2]" 1
160 1 14 ALA HA 1 15 SER H 3.300 . 3.300 2.385 2.264 2.478 . 0 0 "[ . 1 . 2]" 1
161 1 132 LEU HA 1 133 ARG H 4.800 . 4.800 2.153 2.105 2.170 . 0 0 "[ . 1 . 2]" 1
162 1 132 LEU HB3 1 133 ARG H 4.800 . 4.800 4.171 3.713 4.536 . 0 0 "[ . 1 . 2]" 1
163 1 132 LEU HB2 1 133 ARG H 5.200 . 5.200 4.417 3.564 4.601 . 0 0 "[ . 1 . 2]" 1
164 1 27 LYS HA 1 28 THR H 3.100 . 3.100 2.288 2.202 2.378 . 0 0 "[ . 1 . 2]" 1
165 1 27 LYS HB3 1 28 THR H 3.900 . 3.900 2.965 2.611 3.454 . 0 0 "[ . 1 . 2]" 1
166 1 27 LYS HB2 1 28 THR H 4.900 . 4.900 3.888 3.553 4.371 . 0 0 "[ . 1 . 2]" 1
167 1 19 LEU HA 1 20 ARG H 4.900 . 4.900 3.499 3.475 3.539 . 0 0 "[ . 1 . 2]" 1
168 1 19 LEU HB3 1 20 ARG H 4.300 . 4.300 2.766 2.590 2.912 . 0 0 "[ . 1 . 2]" 1
169 1 19 LEU HB2 1 20 ARG H 4.300 . 4.300 3.919 3.829 4.018 . 0 0 "[ . 1 . 2]" 1
170 1 96 CYS HA 1 97 ASP H 3.400 . 3.400 2.197 2.156 2.288 . 0 0 "[ . 1 . 2]" 1
171 1 96 CYS HB3 1 97 ASP H 4.100 . 4.100 4.004 2.975 4.182 0.082 6 0 "[ . 1 . 2]" 1
172 1 11 PHE HA 1 12 GLU H 5.400 . 5.400 3.497 3.249 3.615 . 0 0 "[ . 1 . 2]" 1
173 1 11 PHE HB3 1 12 GLU H 6.000 . 6.000 3.932 3.594 4.545 . 0 0 "[ . 1 . 2]" 1
174 1 11 PHE HB2 1 12 GLU H 6.000 . 6.000 3.854 2.985 4.131 . 0 0 "[ . 1 . 2]" 1
175 1 77 SER HA 1 78 LEU H 4.900 . 4.900 2.795 2.759 2.837 . 0 0 "[ . 1 . 2]" 1
176 1 122 SER HA 1 123 GLU H 5.000 . 5.000 3.518 3.481 3.568 . 0 0 "[ . 1 . 2]" 1
177 1 122 SER HB2 1 123 GLU H 4.300 . 4.300 4.045 3.561 4.304 0.004 19 0 "[ . 1 . 2]" 1
178 1 122 SER HB3 1 123 GLU H 3.800 . 3.800 3.180 2.449 3.750 . 0 0 "[ . 1 . 2]" 1
179 1 4 GLU HA 1 5 LEU H 3.600 . 3.600 2.315 2.220 2.584 . 0 0 "[ . 1 . 2]" 1
180 1 4 GLU HB3 1 5 LEU H 4.500 . 4.500 2.721 2.093 3.024 . 0 0 "[ . 1 . 2]" 1
181 1 4 GLU HB2 1 5 LEU H 5.800 . 5.800 3.866 3.321 4.149 . 0 0 "[ . 1 . 2]" 1
182 1 68 GLY HA3 1 69 LYS H 3.800 . 3.800 2.276 2.255 2.296 . 0 0 "[ . 1 . 2]" 1
183 1 68 GLY HA2 1 69 LYS H 3.300 . 3.300 2.894 2.867 2.923 . 0 0 "[ . 1 . 2]" 1
184 1 49 PHE HA 1 50 VAL H 3.300 . 3.300 2.237 2.195 2.296 . 0 0 "[ . 1 . 2]" 1
185 1 49 PHE HB3 1 50 VAL H 6.000 . 6.000 3.513 3.403 3.593 . 0 0 "[ . 1 . 2]" 1
186 1 51 CYS HA 1 52 SER H 4.500 . 4.500 3.498 3.450 3.549 . 0 0 "[ . 1 . 2]" 1
187 1 51 CYS HB3 1 52 SER H 4.900 . 4.900 3.270 2.638 4.031 . 0 0 "[ . 1 . 2]" 1
188 1 51 CYS HB2 1 52 SER H 6.000 . 6.000 3.543 2.758 4.246 . 0 0 "[ . 1 . 2]" 1
189 1 20 ARG HB3 1 21 SER H 3.400 . 3.400 3.144 2.788 3.543 0.143 17 0 "[ . 1 . 2]" 1
190 1 78 LEU HA 1 79 THR H 5.000 . 5.000 3.377 3.292 3.546 . 0 0 "[ . 1 . 2]" 1
191 1 78 LEU HB3 1 79 THR H 5.200 . 5.200 3.735 2.827 4.002 . 0 0 "[ . 1 . 2]" 1
192 1 39 ARG HA 1 40 GLN H 3.300 . 3.300 2.120 2.072 2.159 . 0 0 "[ . 1 . 2]" 1
193 1 39 ARG HB3 1 40 GLN H 4.200 . 4.200 4.144 3.740 4.365 0.165 2 0 "[ . 1 . 2]" 1
194 1 39 ARG HB2 1 40 GLN H 5.100 . 5.100 4.132 3.814 4.437 . 0 0 "[ . 1 . 2]" 1
195 1 115 GLU HA 1 116 TYR H 5.000 . 5.000 3.550 3.537 3.583 . 0 0 "[ . 1 . 2]" 1
196 1 115 GLU HB3 1 116 TYR H 4.300 . 4.300 3.360 3.058 3.642 . 0 0 "[ . 1 . 2]" 1
197 1 34 GLY HA2 1 35 GLU H 4.700 . 4.700 3.248 3.236 3.256 . 0 0 "[ . 1 . 2]" 1
198 1 100 TYR HA 1 101 ILE H 6.000 . 6.000 2.375 2.307 2.418 . 0 0 "[ . 1 . 2]" 1
199 1 100 TYR HB3 1 101 ILE H 6.000 . 6.000 3.775 3.502 3.958 . 0 0 "[ . 1 . 2]" 1
200 1 100 TYR HB2 1 101 ILE H 6.000 . 6.000 2.374 2.140 2.604 . 0 0 "[ . 1 . 2]" 1
201 1 104 LYS HA 1 105 GLY H 4.000 . 4.000 3.515 3.490 3.558 . 0 0 "[ . 1 . 2]" 1
202 1 104 LYS HB3 1 105 GLY H 4.800 . 4.800 3.798 2.667 4.114 . 0 0 "[ . 1 . 2]" 1
203 1 104 LYS HB2 1 105 GLY H 3.800 . 3.800 2.829 2.393 3.881 0.081 5 0 "[ . 1 . 2]" 1
204 1 70 GLY HA3 1 71 ASP H 5.000 . 5.000 3.127 3.003 3.224 . 0 0 "[ . 1 . 2]" 1
205 1 70 GLY HA2 1 71 ASP H 4.500 . 4.500 3.422 3.357 3.516 . 0 0 "[ . 1 . 2]" 1
206 1 130 TYR HA 1 131 ASN H 3.400 . 3.400 2.141 2.105 2.220 . 0 0 "[ . 1 . 2]" 1
207 1 130 TYR HB3 1 131 ASN H 6.000 . 6.000 4.173 3.816 4.557 . 0 0 "[ . 1 . 2]" 1
208 1 130 TYR HB2 1 131 ASN H 6.000 . 6.000 4.315 3.938 4.516 . 0 0 "[ . 1 . 2]" 1
209 1 108 GLU HA 1 109 VAL H 5.100 . 5.100 3.521 3.511 3.535 . 0 0 "[ . 1 . 2]" 1
210 1 108 GLU HB3 1 109 VAL H 3.000 . 3.000 2.279 2.213 2.416 . 0 0 "[ . 1 . 2]" 1
211 1 10 LEU HA 1 11 PHE H 5.600 . 5.600 3.545 3.498 3.570 . 0 0 "[ . 1 . 2]" 1
212 1 10 LEU HB3 1 11 PHE H 5.200 . 5.200 4.014 3.881 4.070 . 0 0 "[ . 1 . 2]" 1
213 1 10 LEU HB2 1 11 PHE H 4.600 . 4.600 3.075 2.931 3.238 . 0 0 "[ . 1 . 2]" 1
214 1 41 GLY HA3 1 42 ASP H 4.900 . 4.900 3.356 3.345 3.378 . 0 0 "[ . 1 . 2]" 1
215 1 41 GLY HA2 1 42 ASP H 4.700 . 4.700 3.227 3.208 3.256 . 0 0 "[ . 1 . 2]" 1
216 1 81 GLU HA 1 82 GLN H 3.800 . 3.800 2.352 2.185 3.011 . 0 0 "[ . 1 . 2]" 1
217 1 82 GLN H 1 82 GLN HB3 4.200 . 4.200 3.359 3.041 3.693 . 0 0 "[ . 1 . 2]" 1
218 1 80 LYS HD3 1 82 GLN H 6.000 . 6.000 5.473 4.282 6.000 0.000 20 0 "[ . 1 . 2]" 1
219 1 7 GLN HA 1 8 LEU H 5.000 . 5.000 3.385 3.293 3.464 . 0 0 "[ . 1 . 2]" 1
220 1 7 GLN HB3 1 8 LEU H 5.000 . 5.000 3.466 3.138 3.866 . 0 0 "[ . 1 . 2]" 1
221 1 7 GLN HB2 1 8 LEU H 4.000 . 4.000 3.987 3.860 4.064 0.064 15 0 "[ . 1 . 2]" 1
222 1 79 THR HB 1 80 LYS H 5.000 . 5.000 3.062 2.125 3.707 . 0 0 "[ . 1 . 2]" 1
223 1 79 THR HA 1 80 LYS H 4.500 . 4.500 3.427 3.228 3.615 . 0 0 "[ . 1 . 2]" 1
224 1 73 ILE HA 1 74 GLY H 3.100 . 3.100 2.134 2.030 2.204 . 0 0 "[ . 1 . 2]" 1
225 1 73 ILE HB 1 74 GLY H 5.400 . 5.400 3.778 2.884 4.244 . 0 0 "[ . 1 . 2]" 1
226 1 46 ALA HA 1 47 ILE H 3.900 . 3.900 2.354 2.266 2.456 . 0 0 "[ . 1 . 2]" 1
227 1 110 LEU HA 1 111 ARG H 3.600 . 3.600 3.494 3.479 3.518 . 0 0 "[ . 1 . 2]" 1
228 1 110 LEU HB3 1 111 ARG H 3.600 . 3.600 3.299 3.208 3.403 . 0 0 "[ . 1 . 2]" 1
229 1 110 LEU HB2 1 111 ARG H 4.500 . 4.500 3.283 3.033 3.507 . 0 0 "[ . 1 . 2]" 1
230 1 126 HIS HA 1 127 ASP H 4.800 . 4.800 3.426 3.370 3.554 . 0 0 "[ . 1 . 2]" 1
231 1 126 HIS HB3 1 127 ASP H 4.300 . 4.300 3.282 2.860 3.969 . 0 0 "[ . 1 . 2]" 1
232 1 124 ILE HA 1 125 GLN H 4.800 . 4.800 3.545 3.487 3.598 . 0 0 "[ . 1 . 2]" 1
233 1 124 ILE HB 1 125 GLN H 4.700 . 4.700 3.530 3.419 3.704 . 0 0 "[ . 1 . 2]" 1
234 1 45 GLN HA 1 46 ALA H 4.700 . 4.700 3.512 3.410 3.563 . 0 0 "[ . 1 . 2]" 1
235 1 45 GLN HB3 1 46 ALA H 5.200 . 5.200 3.415 2.579 4.060 . 0 0 "[ . 1 . 2]" 1
236 1 45 GLN HB2 1 46 ALA H 5.000 . 5.000 3.221 2.538 4.136 . 0 0 "[ . 1 . 2]" 1
237 1 111 ARG HB3 1 112 LEU H 3.300 . 3.300 2.731 2.607 2.927 . 0 0 "[ . 1 . 2]" 1
238 1 37 LEU HA 1 38 ILE H 5.600 . 5.600 3.597 3.525 3.634 . 0 0 "[ . 1 . 2]" 1
239 1 37 LEU HB2 1 38 ILE H 4.300 . 4.300 3.511 2.644 4.098 . 0 0 "[ . 1 . 2]" 1
240 1 37 LEU HB3 1 38 ILE H 4.300 . 4.300 2.729 2.398 3.966 . 0 0 "[ . 1 . 2]" 1
241 1 9 PRO HA 1 10 LEU H 5.400 . 5.400 3.491 3.424 3.575 . 0 0 "[ . 1 . 2]" 1
242 1 9 PRO HB3 1 10 LEU H 6.000 . 6.000 4.258 3.766 4.359 . 0 0 "[ . 1 . 2]" 1
243 1 9 PRO HB2 1 10 LEU H 3.500 . 3.500 3.103 2.310 3.234 . 0 0 "[ . 1 . 2]" 1
244 1 125 GLN HA 1 126 HIS H 5.000 . 5.000 3.496 3.474 3.541 . 0 0 "[ . 1 . 2]" 1
245 1 125 GLN HB3 1 126 HIS H 4.400 . 4.400 3.868 3.395 4.281 . 0 0 "[ . 1 . 2]" 1
246 1 111 ARG HA 1 113 TYR H 4.300 . 4.300 3.840 3.629 4.124 . 0 0 "[ . 1 . 2]" 1
247 1 112 LEU HB3 1 113 TYR H 5.000 . 5.000 3.145 2.779 3.977 . 0 0 "[ . 1 . 2]" 1
248 1 112 LEU HB2 1 113 TYR H 4.900 . 4.900 3.377 2.768 3.879 . 0 0 "[ . 1 . 2]" 1
249 1 105 GLY HA2 1 108 GLU H 4.300 . 4.300 3.851 3.773 3.943 . 0 0 "[ . 1 . 2]" 1
250 1 107 ARG HB3 1 108 GLU H 3.600 . 3.600 3.022 2.952 3.638 0.038 17 0 "[ . 1 . 2]" 1
251 1 64 LEU HA 1 65 ALA H 4.300 . 4.300 3.400 3.367 3.476 . 0 0 "[ . 1 . 2]" 1
252 1 64 LEU HB3 1 65 ALA H 3.900 . 3.900 3.567 3.355 3.954 0.054 20 0 "[ . 1 . 2]" 1
253 1 64 LEU HB2 1 65 ALA H 4.500 . 4.500 3.584 3.214 3.788 . 0 0 "[ . 1 . 2]" 1
254 1 117 ALA HA 1 118 GLN HE22 6.000 . 6.000 5.940 5.446 6.026 0.026 9 0 "[ . 1 . 2]" 1
255 1 24 LEU HA 1 25 ILE H 5.300 . 5.300 3.514 3.504 3.532 . 0 0 "[ . 1 . 2]" 1
256 1 24 LEU HB3 1 25 ILE H 4.700 . 4.700 3.198 3.077 3.261 . 0 0 "[ . 1 . 2]" 1
257 1 24 LEU HB2 1 25 ILE H 3.800 . 3.800 3.195 3.130 3.249 . 0 0 "[ . 1 . 2]" 1
258 1 6 LEU HA 1 7 GLN H 5.400 . 5.400 3.154 3.106 3.224 . 0 0 "[ . 1 . 2]" 1
259 1 6 LEU HB3 1 7 GLN H 6.000 . 6.000 4.555 4.424 4.613 . 0 0 "[ . 1 . 2]" 1
260 1 6 LEU HB2 1 7 GLN H 5.200 . 5.200 4.403 4.279 4.603 . 0 0 "[ . 1 . 2]" 1
261 1 121 VAL HA 1 122 SER H 4.800 . 4.800 3.531 3.491 3.559 . 0 0 "[ . 1 . 2]" 1
262 1 121 VAL HB 1 122 SER H 3.800 . 3.800 3.618 2.613 3.838 0.038 6 0 "[ . 1 . 2]" 1
263 1 127 ASP HA 1 128 LEU H 4.900 . 4.900 3.191 3.044 3.512 . 0 0 "[ . 1 . 2]" 1
264 1 127 ASP HB3 1 128 LEU H 5.800 . 5.800 4.258 3.586 4.644 . 0 0 "[ . 1 . 2]" 1
265 1 127 ASP HB2 1 128 LEU H 6.000 . 6.000 3.811 2.831 4.485 . 0 0 "[ . 1 . 2]" 1
266 1 13 SER HA 1 14 ALA H 4.600 . 4.600 3.251 3.131 3.402 . 0 0 "[ . 1 . 2]" 1
267 1 12 GLU HA 1 14 ALA H 4.500 . 4.500 3.815 3.574 4.102 . 0 0 "[ . 1 . 2]" 1
268 1 129 THR HA 1 130 TYR H 5.100 . 5.100 3.576 3.553 3.587 . 0 0 "[ . 1 . 2]" 1
269 1 129 THR HB 1 130 TYR H 4.100 . 4.100 2.400 2.060 2.710 . 0 0 "[ . 1 . 2]" 1
270 1 53 GLY HA3 1 54 SER H 4.100 . 4.100 2.381 2.359 2.410 . 0 0 "[ . 1 . 2]" 1
271 1 53 GLY HA2 1 54 SER H 3.500 . 3.500 2.859 2.809 2.878 . 0 0 "[ . 1 . 2]" 1
272 1 93 LEU HA 1 94 THR H 5.200 . 5.200 3.541 3.523 3.547 . 0 0 "[ . 1 . 2]" 1
273 1 93 LEU HB2 1 94 THR H 4.300 . 4.300 2.921 2.817 3.190 . 0 0 "[ . 1 . 2]" 1
274 1 23 SER HA 1 24 LEU H 4.300 . 4.300 3.465 3.452 3.476 . 0 0 "[ . 1 . 2]" 1
275 1 87 ASN HB3 1 88 ALA H 4.700 . 4.700 2.964 2.439 3.615 . 0 0 "[ . 1 . 2]" 1
276 1 87 ASN HB2 1 88 ALA H 6.000 . 6.000 3.833 3.627 4.066 . 0 0 "[ . 1 . 2]" 1
277 1 118 GLN HA 1 119 LYS H 4.100 . 4.100 3.471 3.436 3.500 . 0 0 "[ . 1 . 2]" 1
278 1 118 GLN HB3 1 119 LYS H 4.300 . 4.300 3.784 3.699 4.052 . 0 0 "[ . 1 . 2]" 1
279 1 17 GLY HA2 1 18 CYS H 6.000 . 6.000 3.581 3.566 3.597 . 0 0 "[ . 1 . 2]" 1
280 1 17 GLY HA3 1 18 CYS H 4.600 . 4.600 2.842 2.815 2.868 . 0 0 "[ . 1 . 2]" 1
281 1 74 GLY HA3 1 75 SER H 4.100 . 4.100 2.958 2.898 2.992 . 0 0 "[ . 1 . 2]" 1
282 1 74 GLY HA2 1 75 SER H 3.900 . 3.900 2.279 2.220 2.316 . 0 0 "[ . 1 . 2]" 1
283 1 25 ILE HA 1 26 ILE H 4.600 . 4.600 3.064 3.050 3.074 . 0 0 "[ . 1 . 2]" 1
284 1 25 ILE HB 1 26 ILE H 6.000 . 6.000 4.533 4.517 4.556 . 0 0 "[ . 1 . 2]" 1
285 1 21 SER HA 1 22 LEU H 4.700 . 4.700 3.556 3.507 3.572 . 0 0 "[ . 1 . 2]" 1
286 1 21 SER HB3 1 22 LEU H 4.000 . 4.000 3.584 3.504 3.641 . 0 0 "[ . 1 . 2]" 1
287 1 98 LEU H 1 98 LEU HB2 4.100 . 4.100 2.820 2.355 3.026 . 0 0 "[ . 1 . 2]" 1
288 1 110 LEU HB2 1 117 ALA H 6.000 . 6.000 5.933 5.702 6.085 0.085 6 0 "[ . 1 . 2]" 1
289 1 11 PHE H 1 11 PHE HB2 3.800 . 3.800 3.667 3.520 3.719 . 0 0 "[ . 1 . 2]" 1
290 1 12 GLU H 1 12 GLU HB2 3.100 . 3.100 2.454 2.094 2.678 . 0 0 "[ . 1 . 2]" 1
291 1 7 GLN HG2 1 12 GLU H 6.000 . 6.000 6.040 5.923 6.097 0.097 14 0 "[ . 1 . 2]" 1
292 1 12 GLU HG3 1 13 SER H 5.800 . 5.800 4.093 3.615 5.284 . 0 0 "[ . 1 . 2]" 1
293 1 17 GLY HA3 1 20 ARG H 6.000 . 6.000 4.523 4.415 4.621 . 0 0 "[ . 1 . 2]" 1
294 1 19 LEU HG 1 20 ARG H 6.000 . 6.000 4.023 3.877 4.212 . 0 0 "[ . 1 . 2]" 1
295 1 20 ARG HD2 1 21 SER H 6.000 . 6.000 3.502 2.238 6.055 0.055 6 0 "[ . 1 . 2]" 1
296 1 20 ARG HG2 1 21 SER H 6.000 . 6.000 4.077 3.708 4.220 . 0 0 "[ . 1 . 2]" 1
297 1 24 LEU H 1 24 LEU HB3 4.100 . 4.100 3.329 3.287 3.373 . 0 0 "[ . 1 . 2]" 1
298 1 24 LEU H 1 24 LEU HG 4.100 . 4.100 4.155 4.135 4.181 0.081 3 0 "[ . 1 . 2]" 1
299 1 25 ILE HG12 1 26 ILE H 6.000 . 6.000 5.375 5.332 5.415 . 0 0 "[ . 1 . 2]" 1
300 1 26 ILE H 1 26 ILE HB 3.300 . 3.300 2.037 1.997 2.111 . 0 0 "[ . 1 . 2]" 1
301 1 27 LYS H 1 27 LYS HB2 4.200 . 4.200 2.736 2.498 2.926 . 0 0 "[ . 1 . 2]" 1
302 1 26 ILE HG12 1 27 LYS H 6.000 . 6.000 4.332 4.105 4.466 . 0 0 "[ . 1 . 2]" 1
303 1 27 LYS HD3 1 28 THR H 5.400 . 5.400 4.194 1.800 5.197 . 0 0 "[ . 1 . 2]" 1
304 1 36 PHE H 1 36 PHE HB2 4.000 . 4.000 2.609 2.139 3.052 . 0 0 "[ . 1 . 2]" 1
305 1 35 GLU HG3 1 36 PHE H 5.100 . 5.100 3.435 2.571 4.549 . 0 0 "[ . 1 . 2]" 1
306 1 38 ILE H 1 38 ILE HB 4.300 . 4.300 3.083 2.522 3.931 . 0 0 "[ . 1 . 2]" 1
307 1 37 LEU HG 1 38 ILE H 6.000 . 6.000 4.265 2.253 5.452 . 0 0 "[ . 1 . 2]" 1
308 1 39 ARG H 1 39 ARG HB3 4.200 . 4.200 3.224 2.608 3.771 . 0 0 "[ . 1 . 2]" 1
309 1 39 ARG HD3 1 40 GLN H 4.100 . 4.100 4.017 3.389 4.393 0.293 17 0 "[ . 1 . 2]" 1
310 1 39 ARG HG3 1 40 GLN H 6.000 . 6.000 4.394 3.221 5.616 . 0 0 "[ . 1 . 2]" 1
311 1 40 GLN HG3 1 41 GLY H 6.000 . 6.000 3.812 2.469 5.219 . 0 0 "[ . 1 . 2]" 1
312 1 47 ILE HG13 1 48 TYR H 3.500 . 3.500 2.379 1.917 2.957 . 0 0 "[ . 1 . 2]" 1
313 1 55 MET HG2 1 56 GLU H 6.000 . 6.000 4.533 1.658 5.133 . 0 0 "[ . 1 . 2]" 1
314 1 55 MET HG3 1 56 GLU H 5.200 . 5.200 3.935 1.662 4.535 . 0 0 "[ . 1 . 2]" 1
315 1 56 GLU HG2 1 57 VAL H 6.000 . 6.000 4.965 4.807 5.067 . 0 0 "[ . 1 . 2]" 1
316 1 59 LYS HE3 1 60 ASP H 6.000 . 6.000 3.612 3.315 3.992 . 0 0 "[ . 1 . 2]" 1
317 1 59 LYS HE2 1 60 ASP H 6.000 . 6.000 3.381 2.187 4.196 . 0 0 "[ . 1 . 2]" 1
318 1 59 LYS HD3 1 60 ASP H 4.500 . 4.500 1.630 1.601 1.679 . 0 0 "[ . 1 . 2]" 1
319 1 62 THR HA 1 63 VAL H 2.900 . 2.900 2.292 2.263 2.329 . 0 0 "[ . 1 . 2]" 1
320 1 62 THR HB 1 63 VAL H 4.600 . 4.600 3.572 3.429 3.747 . 0 0 "[ . 1 . 2]" 1
321 1 69 LYS HD3 1 70 GLY H 6.000 . 6.000 5.563 4.997 6.006 0.006 9 0 "[ . 1 . 2]" 1
322 1 69 LYS HG3 1 70 GLY H 6.000 . 6.000 4.601 2.554 5.280 . 0 0 "[ . 1 . 2]" 1
323 1 72 LEU HG 1 73 ILE H 4.500 . 4.500 2.360 2.060 4.227 . 0 0 "[ . 1 . 2]" 1
324 1 80 LYS H 1 80 LYS HB2 4.100 . 4.100 2.893 2.405 3.630 . 0 0 "[ . 1 . 2]" 1
325 1 80 LYS HA 1 81 GLU H 4.700 . 4.700 3.169 2.928 3.467 . 0 0 "[ . 1 . 2]" 1
326 1 85 LYS HG2 1 86 THR H 6.000 . 6.000 5.173 4.171 5.393 . 0 0 "[ . 1 . 2]" 1
327 1 85 LYS HG3 1 86 THR H 5.000 . 5.000 4.758 4.432 4.886 . 0 0 "[ . 1 . 2]" 1
328 1 91 LYS H 1 91 LYS QB 3.700 . 3.700 2.617 2.505 2.687 . 0 0 "[ . 1 . 2]" 1
329 1 91 LYS HE3 1 92 ALA H 6.000 . 6.000 5.590 4.662 5.963 . 0 0 "[ . 1 . 2]" 1
330 1 91 LYS HD3 1 92 ALA H 6.000 . 6.000 5.545 5.031 5.766 . 0 0 "[ . 1 . 2]" 1
331 1 91 LYS HG3 1 92 ALA H 4.700 . 4.700 3.251 2.929 3.878 . 0 0 "[ . 1 . 2]" 1
332 1 91 LYS HG2 1 92 ALA H 5.000 . 5.000 3.354 2.885 3.994 . 0 0 "[ . 1 . 2]" 1
333 1 104 LYS HG3 1 105 GLY H 5.000 . 5.000 3.845 1.858 5.030 0.030 12 0 "[ . 1 . 2]" 1
334 1 104 LYS HG2 1 105 GLY H 5.400 . 5.400 4.478 3.534 5.018 . 0 0 "[ . 1 . 2]" 1
335 1 106 LEU HG 1 107 ARG H 5.600 . 5.600 4.039 3.920 4.277 . 0 0 "[ . 1 . 2]" 1
336 1 107 ARG HG3 1 108 GLU H 4.800 . 4.800 3.973 3.696 5.060 0.260 17 0 "[ . 1 . 2]" 1
337 1 107 ARG HD3 1 108 GLU H 4.700 . 4.700 5.059 5.003 5.210 0.510 17 1 "[ . 1 . + 2]" 1
338 1 108 GLU HG3 1 109 VAL H 5.000 . 5.000 4.374 3.746 4.907 . 0 0 "[ . 1 . 2]" 1
339 1 108 GLU HG2 1 109 VAL H 6.000 . 6.000 3.945 2.813 4.871 . 0 0 "[ . 1 . 2]" 1
340 1 111 ARG HG3 1 112 LEU H 6.000 . 6.000 4.861 4.319 5.166 . 0 0 "[ . 1 . 2]" 1
341 1 115 GLU HG3 1 116 TYR H 5.400 . 5.400 4.337 3.607 4.946 . 0 0 "[ . 1 . 2]" 1
342 1 118 GLN HG3 1 119 LYS H 5.100 . 5.100 5.093 4.910 5.151 0.051 9 0 "[ . 1 . 2]" 1
343 1 125 GLN HG3 1 126 HIS H 5.200 . 5.200 3.750 1.929 5.131 . 0 0 "[ . 1 . 2]" 1
344 1 134 GLU HG3 1 135 GLY H 5.500 . 5.500 4.257 2.145 5.192 . 0 0 "[ . 1 . 2]" 1
345 1 49 PHE H 1 98 LEU HB2 6.000 . 6.000 4.919 4.281 5.997 . 0 0 "[ . 1 . 2]" 1
346 1 47 ILE HG13 1 49 PHE H 6.000 . 6.000 5.472 5.031 5.906 . 0 0 "[ . 1 . 2]" 1
347 1 49 PHE H 1 50 VAL H 6.000 . 6.000 4.322 4.199 4.438 . 0 0 "[ . 1 . 2]" 1
348 1 44 LEU H 1 45 GLN H 6.000 . 6.000 4.384 4.303 4.486 . 0 0 "[ . 1 . 2]" 1
349 1 44 LEU HG 1 45 GLN H 6.000 . 6.000 3.065 2.411 3.708 . 0 0 "[ . 1 . 2]" 1
350 1 48 TYR H 1 73 ILE H 6.000 . 6.000 3.392 2.897 3.735 . 0 0 "[ . 1 . 2]" 1
351 1 73 ILE H 1 73 ILE HB . . 4.200 3.347 2.278 3.814 . 0 0 "[ . 1 . 2]" 1
352 1 60 ASP H 1 61 ASN H 4.700 . 4.700 2.748 2.708 2.832 . 0 0 "[ . 1 . 2]" 1
353 1 60 ASP H 1 62 THR H 6.000 . 6.000 4.224 4.121 4.343 . 0 0 "[ . 1 . 2]" 1
354 1 68 GLY H 1 71 ASP HB2 5.300 . 5.300 3.759 3.315 4.425 . 0 0 "[ . 1 . 2]" 1
355 1 68 GLY H 1 71 ASP HB3 6.000 . 6.000 2.668 2.091 3.816 . 0 0 "[ . 1 . 2]" 1
356 1 68 GLY H 1 71 ASP H 5.600 . 5.600 4.090 3.759 4.552 . 0 0 "[ . 1 . 2]" 1
357 1 67 LEU H 1 68 GLY H 6.000 . 6.000 4.477 4.468 4.490 . 0 0 "[ . 1 . 2]" 1
358 1 71 ASP HA 1 129 THR H 6.000 . 6.000 5.051 4.304 5.428 . 0 0 "[ . 1 . 2]" 1
359 1 128 LEU H 1 129 THR H 5.100 . 5.100 4.408 4.252 4.571 . 0 0 "[ . 1 . 2]" 1
360 1 72 LEU H 1 129 THR H 5.800 . 5.800 3.561 2.463 3.963 . 0 0 "[ . 1 . 2]" 1
361 1 71 ASP HB2 1 129 THR H 6.000 . 6.000 5.933 5.389 6.071 0.071 3 0 "[ . 1 . 2]" 1
362 1 86 THR H 1 87 ASN H 6.000 . 6.000 4.441 4.331 4.510 . 0 0 "[ . 1 . 2]" 1
363 1 85 LYS HB2 1 87 ASN H 6.000 . 6.000 5.200 4.929 5.660 . 0 0 "[ . 1 . 2]" 1
364 1 101 ILE H 1 102 SER H 6.000 . 6.000 4.327 4.196 4.364 . 0 0 "[ . 1 . 2]" 1
365 1 102 SER H 1 103 LEU H 6.000 . 6.000 4.512 4.480 4.597 . 0 0 "[ . 1 . 2]" 1
366 1 56 GLU H 1 91 LYS H 6.000 . 6.000 3.214 3.027 3.406 . 0 0 "[ . 1 . 2]" 1
367 1 56 GLU H 1 57 VAL H 6.000 . 6.000 4.347 4.322 4.378 . 0 0 "[ . 1 . 2]" 1
368 1 56 GLU H 1 90 VAL HA 6.000 . 6.000 4.660 4.480 4.933 . 0 0 "[ . 1 . 2]" 1
369 1 58 LEU HA 1 64 LEU H 4.500 . 4.500 2.974 2.817 3.334 . 0 0 "[ . 1 . 2]" 1
370 1 57 VAL H 1 64 LEU H 5.600 . 5.600 4.288 4.139 4.562 . 0 0 "[ . 1 . 2]" 1
371 1 28 THR HA 1 100 TYR H 6.000 . 6.000 2.602 2.033 3.041 . 0 0 "[ . 1 . 2]" 1
372 1 100 TYR H 1 101 ILE H 6.000 . 6.000 4.385 4.347 4.405 . 0 0 "[ . 1 . 2]" 1
373 1 27 LYS HA 1 100 TYR H 6.000 . 6.000 5.239 4.983 5.466 . 0 0 "[ . 1 . 2]" 1
374 1 100 TYR H 1 101 ILE HA 6.000 . 6.000 4.839 4.749 4.902 . 0 0 "[ . 1 . 2]" 1
375 1 27 LYS HB2 1 100 TYR H 5.600 . 5.600 4.217 3.845 4.994 . 0 0 "[ . 1 . 2]" 1
376 1 49 PHE H 1 99 GLN H 4.900 . 4.900 2.664 2.426 3.249 . 0 0 "[ . 1 . 2]" 1
377 1 55 MET HA 1 67 LEU H 6.000 . 6.000 5.487 5.414 5.555 . 0 0 "[ . 1 . 2]" 1
378 1 67 LEU H 1 67 LEU HB3 4.200 . 4.200 3.639 3.576 3.665 . 0 0 "[ . 1 . 2]" 1
379 1 91 LYS H 1 92 ALA H 6.000 . 6.000 4.120 4.096 4.175 . 0 0 "[ . 1 . 2]" 1
380 1 58 LEU H 1 91 LYS H 6.000 . 6.000 3.941 3.801 4.164 . 0 0 "[ . 1 . 2]" 1
381 1 90 VAL H 1 91 LYS HA 6.000 . 6.000 4.917 4.757 5.149 . 0 0 "[ . 1 . 2]" 1
382 1 38 ILE H 1 90 VAL H 4.600 . 4.600 2.547 2.361 2.705 . 0 0 "[ . 1 . 2]" 1
383 1 89 ASN H 1 90 VAL H 6.000 . 6.000 4.493 4.419 4.536 . 0 0 "[ . 1 . 2]" 1
384 1 36 PHE H 1 37 LEU H 6.000 . 6.000 4.420 4.360 4.462 . 0 0 "[ . 1 . 2]" 1
385 1 50 VAL HB 1 70 GLY H 5.000 . 5.000 3.798 3.689 3.988 . 0 0 "[ . 1 . 2]" 1
386 1 69 LYS H 1 70 GLY H 6.000 . 6.000 4.568 4.531 4.603 . 0 0 "[ . 1 . 2]" 1
387 1 55 MET HA 1 93 LEU H 6.000 . 6.000 1.635 1.569 1.740 . 0 0 "[ . 1 . 2]" 1
388 1 55 MET HG2 1 93 LEU H 6.000 . 6.000 4.954 3.291 5.326 . 0 0 "[ . 1 . 2]" 1
389 1 93 LEU H 1 93 LEU HB2 4.100 . 4.100 2.070 2.051 2.108 . 0 0 "[ . 1 . 2]" 1
390 1 55 MET HG3 1 93 LEU H 6.000 . 6.000 4.814 3.374 5.222 . 0 0 "[ . 1 . 2]" 1
391 1 115 GLU H 1 116 TYR HB2 6.000 . 6.000 4.673 4.570 4.971 . 0 0 "[ . 1 . 2]" 1
392 1 115 GLU H 1 116 TYR HB3 6.000 . 6.000 6.084 6.013 6.156 0.156 7 0 "[ . 1 . 2]" 1
393 1 113 TYR HA 1 115 GLU H 5.800 . 5.800 3.900 3.795 3.950 . 0 0 "[ . 1 . 2]" 1
394 1 115 GLU H 1 116 TYR H 3.400 . 3.400 2.729 2.628 2.928 . 0 0 "[ . 1 . 2]" 1
395 1 97 ASP H 1 98 LEU H 6.000 . 6.000 4.467 4.418 4.496 . 0 0 "[ . 1 . 2]" 1
396 1 98 LEU H 1 99 GLN H 6.000 . 6.000 4.408 4.301 4.466 . 0 0 "[ . 1 . 2]" 1
397 1 29 SER HB2 1 98 LEU H 5.600 . 5.600 5.282 4.926 5.637 0.037 7 0 "[ . 1 . 2]" 1
398 1 16 ARG H 1 17 GLY H 5.200 . 5.200 2.701 2.656 2.732 . 0 0 "[ . 1 . 2]" 1
399 1 16 ARG H 1 16 ARG HD3 6.000 . 6.000 3.764 2.176 5.328 . 0 0 "[ . 1 . 2]" 1
400 1 16 ARG H 1 16 ARG HB3 4.300 . 4.300 3.567 3.413 3.623 . 0 0 "[ . 1 . 2]" 1
401 1 16 ARG H 1 16 ARG HG3 4.100 . 4.100 3.534 3.079 4.087 . 0 0 "[ . 1 . 2]" 1
402 1 58 LEU H 1 90 VAL H 5.800 . 5.800 4.393 4.132 4.779 . 0 0 "[ . 1 . 2]" 1
403 1 58 LEU H 1 90 VAL HA 5.200 . 5.200 3.194 3.003 3.422 . 0 0 "[ . 1 . 2]" 1
404 1 58 LEU H 1 59 LYS HE3 6.000 . 6.000 6.079 6.013 6.140 0.140 16 0 "[ . 1 . 2]" 1
405 1 44 LEU H 1 84 ILE H 6.000 . 6.000 4.176 3.355 4.780 . 0 0 "[ . 1 . 2]" 1
406 1 84 ILE H 1 85 LYS H 6.000 . 6.000 4.350 4.132 4.478 . 0 0 "[ . 1 . 2]" 1
407 1 84 ILE H 1 85 LYS HA 6.000 . 6.000 4.897 4.698 5.169 . 0 0 "[ . 1 . 2]" 1
408 1 44 LEU HG 1 84 ILE H 6.000 . 6.000 5.895 5.478 6.044 0.044 14 0 "[ . 1 . 2]" 1
409 1 84 ILE H 1 85 LYS HG3 6.000 . 6.000 5.837 4.784 6.067 0.067 5 0 "[ . 1 . 2]" 1
410 1 29 SER H 1 98 LEU H 6.000 . 6.000 4.363 4.072 4.523 . 0 0 "[ . 1 . 2]" 1
411 1 29 SER H 1 99 GLN HA 4.800 . 4.800 2.778 2.493 3.129 . 0 0 "[ . 1 . 2]" 1
412 1 29 SER H 1 98 LEU HB3 5.200 . 5.200 4.772 3.495 5.287 0.087 7 0 "[ . 1 . 2]" 1
413 1 29 SER H 1 98 LEU HB2 6.000 . 6.000 3.943 3.490 5.157 . 0 0 "[ . 1 . 2]" 1
414 1 85 LYS HA 1 135 GLY H 6.000 . 6.000 5.982 5.840 6.058 0.058 8 0 "[ . 1 . 2]" 1
415 1 50 VAL H 1 51 CYS H 5.100 . 5.100 4.439 4.417 4.472 . 0 0 "[ . 1 . 2]" 1
416 1 51 CYS H 1 99 GLN H 6.000 . 6.000 4.631 4.089 4.979 . 0 0 "[ . 1 . 2]" 1
417 1 51 CYS H 1 98 LEU HA 6.000 . 6.000 3.435 3.115 3.810 . 0 0 "[ . 1 . 2]" 1
418 1 115 GLU H 1 117 ALA H 4.800 . 4.800 3.761 3.685 3.894 . 0 0 "[ . 1 . 2]" 1
419 1 116 TYR H 1 117 ALA H 3.400 . 3.400 2.494 2.442 2.588 . 0 0 "[ . 1 . 2]" 1
420 1 117 ALA H 1 118 GLN H 3.900 . 3.900 2.909 2.851 2.961 . 0 0 "[ . 1 . 2]" 1
421 1 117 ALA H 1 119 LYS H 6.000 . 6.000 3.775 3.690 3.866 . 0 0 "[ . 1 . 2]" 1
422 1 115 GLU HA 1 117 ALA H 5.200 . 5.200 4.339 4.153 4.533 . 0 0 "[ . 1 . 2]" 1
423 1 114 PRO HB3 1 117 ALA H 6.000 . 6.000 5.649 5.563 5.750 . 0 0 "[ . 1 . 2]" 1
424 1 115 GLU HB3 1 117 ALA H 6.000 . 6.000 5.314 5.093 5.522 . 0 0 "[ . 1 . 2]" 1
425 1 38 ILE H 1 39 ARG H 6.000 . 6.000 4.434 4.327 4.501 . 0 0 "[ . 1 . 2]" 1
426 1 39 ARG H 1 39 ARG HD3 4.800 . 4.800 3.131 1.630 4.679 . 0 0 "[ . 1 . 2]" 1
427 1 133 ARG H 1 134 GLU H 6.000 . 6.000 4.552 4.537 4.572 . 0 0 "[ . 1 . 2]" 1
428 1 134 GLU H 1 134 GLU HG3 4.600 . 4.600 2.731 1.759 4.587 . 0 0 "[ . 1 . 2]" 1
429 1 59 LYS HA 1 61 ASN H 6.000 . 6.000 3.729 3.535 3.896 . 0 0 "[ . 1 . 2]" 1
430 1 60 ASP HB3 1 61 ASN H 4.700 . 4.700 4.408 4.234 4.643 . 0 0 "[ . 1 . 2]" 1
431 1 58 LEU HB3 1 61 ASN H 6.000 . 6.000 5.886 5.426 6.137 0.137 20 0 "[ . 1 . 2]" 1
432 1 61 ASN H 1 62 THR H 4.600 . 4.600 2.914 2.805 3.000 . 0 0 "[ . 1 . 2]" 1
433 1 32 ALA H 1 35 GLU H 6.000 . 6.000 3.940 3.797 4.383 . 0 0 "[ . 1 . 2]" 1
434 1 32 ALA H 1 95 TYR HB3 6.000 . 6.000 6.023 5.967 6.043 0.043 18 0 "[ . 1 . 2]" 1
435 1 41 GLY H 1 86 THR H 6.000 . 6.000 4.478 4.219 4.672 . 0 0 "[ . 1 . 2]" 1
436 1 42 ASP H 1 86 THR H 6.000 . 6.000 3.594 3.335 3.778 . 0 0 "[ . 1 . 2]" 1
437 1 41 GLY HA3 1 86 THR H 6.000 . 6.000 6.073 6.020 6.142 0.142 17 0 "[ . 1 . 2]" 1
438 1 84 ILE HA 1 86 THR H 6.000 . 6.000 6.100 5.998 6.268 0.268 18 0 "[ . 1 . 2]" 1
439 1 35 GLU H 1 92 ALA H 5.400 . 5.400 3.552 3.446 3.653 . 0 0 "[ . 1 . 2]" 1
440 1 92 ALA H 1 93 LEU HA 5.400 . 5.400 5.378 5.354 5.401 0.001 20 0 "[ . 1 . 2]" 1
441 1 33 PRO HA 1 92 ALA H 6.000 . 6.000 5.449 5.207 5.679 . 0 0 "[ . 1 . 2]" 1
442 1 55 MET HB3 1 92 ALA H 6.000 . 6.000 4.854 4.511 6.071 0.071 7 0 "[ . 1 . 2]" 1
443 1 131 ASN H 1 132 LEU H 6.000 . 6.000 4.323 4.090 4.443 . 0 0 "[ . 1 . 2]" 1
444 1 132 LEU H 1 132 LEU HB3 4.300 . 4.300 2.746 2.156 3.436 . 0 0 "[ . 1 . 2]" 1
445 1 59 LYS H 1 62 THR H 4.300 . 4.300 3.584 3.347 3.753 . 0 0 "[ . 1 . 2]" 1
446 1 58 LEU H 1 59 LYS H 6.000 . 6.000 4.409 4.380 4.443 . 0 0 "[ . 1 . 2]" 1
447 1 59 LYS H 1 64 LEU H 5.800 . 5.800 3.026 2.839 3.478 . 0 0 "[ . 1 . 2]" 1
448 1 59 LYS H 1 60 ASP H 6.000 . 6.000 4.234 4.200 4.258 . 0 0 "[ . 1 . 2]" 1
449 1 59 LYS H 1 60 ASP HA 5.800 . 5.800 5.722 5.672 5.766 . 0 0 "[ . 1 . 2]" 1
450 1 59 LYS H 1 61 ASN HA 6.000 . 6.000 5.515 5.324 5.696 . 0 0 "[ . 1 . 2]" 1
451 1 59 LYS H 1 59 LYS HB2 4.300 . 4.300 3.299 3.004 3.598 . 0 0 "[ . 1 . 2]" 1
452 1 59 LYS H 1 59 LYS HB3 3.900 . 3.900 3.266 2.925 3.617 . 0 0 "[ . 1 . 2]" 1
453 1 55 MET H 1 67 LEU H 4.300 . 4.300 3.943 3.794 4.089 . 0 0 "[ . 1 . 2]" 1
454 1 54 SER H 1 55 MET H 6.000 . 6.000 4.342 4.275 4.401 . 0 0 "[ . 1 . 2]" 1
455 1 55 MET H 1 67 LEU HA 6.000 . 6.000 5.493 5.442 5.563 . 0 0 "[ . 1 . 2]" 1
456 1 55 MET H 1 55 MET HB2 4.300 . 4.300 3.832 3.399 3.994 . 0 0 "[ . 1 . 2]" 1
457 1 96 CYS H 1 97 ASP H 6.000 . 6.000 4.368 4.301 4.425 . 0 0 "[ . 1 . 2]" 1
458 1 33 PRO HG3 1 96 CYS H 6.000 . 6.000 5.516 5.233 5.773 . 0 0 "[ . 1 . 2]" 1
459 1 31 CYS H 1 96 CYS H 6.000 . 6.000 3.695 3.548 3.828 . 0 0 "[ . 1 . 2]" 1
460 1 85 LYS H 1 133 ARG HA 6.000 . 6.000 6.010 5.864 6.057 0.057 5 0 "[ . 1 . 2]" 1
461 1 85 LYS H 1 134 GLU HB3 5.000 . 5.000 2.255 1.679 4.877 . 0 0 "[ . 1 . 2]" 1
462 1 85 LYS H 1 85 LYS HB2 3.800 . 3.800 3.424 2.296 3.690 . 0 0 "[ . 1 . 2]" 1
463 1 85 LYS H 1 85 LYS HG2 5.200 . 5.200 2.475 2.088 4.328 . 0 0 "[ . 1 . 2]" 1
464 1 27 LYS H 1 100 TYR H 4.500 . 4.500 4.287 3.910 4.430 . 0 0 "[ . 1 . 2]" 1
465 1 31 CYS H 1 98 LEU H 6.000 . 6.000 3.925 3.633 4.166 . 0 0 "[ . 1 . 2]" 1
466 1 31 CYS H 1 96 CYS HA 6.000 . 6.000 5.442 5.315 5.506 . 0 0 "[ . 1 . 2]" 1
467 1 31 CYS H 1 98 LEU HB3 6.000 . 6.000 5.912 4.877 6.050 0.050 17 0 "[ . 1 . 2]" 1
468 1 31 CYS H 1 98 LEU HB2 6.000 . 6.000 4.768 4.136 5.190 . 0 0 "[ . 1 . 2]" 1
469 1 58 LEU H 1 89 ASN H 4.800 . 4.800 3.153 2.958 3.301 . 0 0 "[ . 1 . 2]" 1
470 1 59 LYS HB3 1 89 ASN H 5.200 . 5.200 4.501 4.007 5.028 . 0 0 "[ . 1 . 2]" 1
471 1 59 LYS HG3 1 89 ASN H 6.000 . 6.000 4.954 3.886 6.054 0.054 12 0 "[ . 1 . 2]" 1
472 1 105 GLY H 1 106 LEU H 3.800 . 3.800 2.634 2.497 2.719 . 0 0 "[ . 1 . 2]" 1
473 1 106 LEU H 1 108 GLU H 6.000 . 6.000 4.083 3.961 4.219 . 0 0 "[ . 1 . 2]" 1
474 1 106 LEU H 1 108 GLU HB3 6.000 . 6.000 5.506 4.981 5.977 . 0 0 "[ . 1 . 2]" 1
475 1 106 LEU H 1 106 LEU HB3 4.000 . 4.000 2.401 2.274 2.656 . 0 0 "[ . 1 . 2]" 1
476 1 106 LEU H 1 106 LEU HB2 3.100 . 3.100 2.658 2.295 2.837 . 0 0 "[ . 1 . 2]" 1
477 1 37 LEU H 1 90 VAL H 6.000 . 6.000 3.989 3.873 4.152 . 0 0 "[ . 1 . 2]" 1
478 1 37 LEU H 1 37 LEU HG 5.600 . 5.600 4.337 1.832 4.581 . 0 0 "[ . 1 . 2]" 1
479 1 101 ILE H 1 103 LEU H 6.000 . 6.000 5.644 5.410 6.009 0.009 14 0 "[ . 1 . 2]" 1
480 1 46 ALA H 1 103 LEU H 6.000 . 6.000 4.767 4.458 5.116 . 0 0 "[ . 1 . 2]" 1
481 1 46 ALA HA 1 103 LEU H 6.000 . 6.000 2.482 2.205 2.704 . 0 0 "[ . 1 . 2]" 1
482 1 103 LEU H 1 103 LEU HB2 3.300 . 3.300 2.155 2.072 2.564 . 0 0 "[ . 1 . 2]" 1
483 1 43 ALA H 1 44 LEU H 6.000 . 6.000 4.312 4.066 4.487 . 0 0 "[ . 1 . 2]" 1
484 1 43 ALA H 1 86 THR H 6.000 . 6.000 4.321 4.104 5.123 . 0 0 "[ . 1 . 2]" 1
485 1 42 ASP H 1 43 ALA H 6.000 . 6.000 4.549 4.509 4.640 . 0 0 "[ . 1 . 2]" 1
486 1 80 LYS HG3 1 81 GLU H 6.000 . 6.000 4.950 3.418 5.673 . 0 0 "[ . 1 . 2]" 1
487 1 95 TYR H 1 95 TYR HB3 3.800 . 3.800 3.185 3.030 3.317 . 0 0 "[ . 1 . 2]" 1
488 1 83 VAL H 1 84 ILE H 6.000 . 6.000 4.407 4.053 4.599 . 0 0 "[ . 1 . 2]" 1
489 1 82 GLN H 1 83 VAL H 5.800 . 5.800 4.344 3.564 4.591 . 0 0 "[ . 1 . 2]" 1
490 1 82 GLN HG2 1 83 VAL H 6.000 . 6.000 3.751 3.193 4.428 . 0 0 "[ . 1 . 2]" 1
491 1 110 LEU H 1 111 ARG H 3.800 . 3.800 2.566 2.497 2.624 . 0 0 "[ . 1 . 2]" 1
492 1 108 GLU H 1 110 LEU H 6.000 . 6.000 3.832 3.515 4.034 . 0 0 "[ . 1 . 2]" 1
493 1 106 LEU H 1 110 LEU H 6.000 . 6.000 5.961 5.828 6.015 0.015 14 0 "[ . 1 . 2]" 1
494 1 110 LEU H 1 110 LEU HB3 3.600 . 3.600 3.249 3.148 3.328 . 0 0 "[ . 1 . 2]" 1
495 1 106 LEU HB2 1 110 LEU H 6.000 . 6.000 6.004 5.789 6.198 0.198 13 0 "[ . 1 . 2]" 1
496 1 110 LEU H 1 110 LEU HB2 3.800 . 3.800 2.006 1.971 2.041 . 0 0 "[ . 1 . 2]" 1
497 1 104 LYS H 1 105 GLY H 3.800 . 3.800 2.517 2.440 2.647 . 0 0 "[ . 1 . 2]" 1
498 1 102 SER HB3 1 104 LYS H 6.000 . 6.000 4.403 2.940 4.621 . 0 0 "[ . 1 . 2]" 1
499 1 102 SER HB2 1 104 LYS H 6.000 . 6.000 2.940 2.626 4.177 . 0 0 "[ . 1 . 2]" 1
500 1 104 LYS H 1 104 LYS HG3 4.300 . 4.300 2.371 1.690 4.363 0.063 5 0 "[ . 1 . 2]" 1
501 1 57 VAL H 1 58 LEU H 6.000 . 6.000 4.493 4.444 4.529 . 0 0 "[ . 1 . 2]" 1
502 1 119 LYS H 1 120 PHE H 3.300 . 3.300 2.533 2.518 2.551 . 0 0 "[ . 1 . 2]" 1
503 1 120 PHE H 1 121 VAL H 3.600 . 3.600 2.873 2.775 2.979 . 0 0 "[ . 1 . 2]" 1
504 1 116 TYR HA 1 120 PHE H 6.000 . 6.000 4.503 4.277 4.653 . 0 0 "[ . 1 . 2]" 1
505 1 118 GLN HA 1 120 PHE H 5.400 . 5.400 4.061 3.994 4.128 . 0 0 "[ . 1 . 2]" 1
506 1 107 ARG HD3 1 120 PHE H 6.000 . 6.000 6.295 6.215 6.430 0.430 6 0 "[ . 1 . 2]" 1
507 1 116 TYR HB2 1 120 PHE H 6.000 . 6.000 5.926 5.314 6.055 0.055 14 0 "[ . 1 . 2]" 1
508 1 120 PHE H 1 120 PHE HB3 3.800 . 3.800 2.141 2.015 3.138 . 0 0 "[ . 1 . 2]" 1
509 1 118 GLN HG2 1 120 PHE H 6.000 . 6.000 5.928 5.716 5.992 . 0 0 "[ . 1 . 2]" 1
510 1 119 LYS HG3 1 120 PHE H 6.000 . 6.000 4.901 4.333 5.260 . 0 0 "[ . 1 . 2]" 1
511 1 106 LEU H 1 107 ARG H 4.100 . 4.100 2.676 2.609 2.769 . 0 0 "[ . 1 . 2]" 1
512 1 107 ARG H 1 109 VAL H 5.600 . 5.600 4.456 4.404 4.485 . 0 0 "[ . 1 . 2]" 1
513 1 103 LEU HA 1 107 ARG H 4.800 . 4.800 3.817 3.563 4.095 . 0 0 "[ . 1 . 2]" 1
514 1 107 ARG H 1 107 ARG HD3 5.800 . 5.800 4.235 3.772 4.548 . 0 0 "[ . 1 . 2]" 1
515 1 29 SER H 1 30 PHE H 6.000 . 6.000 4.429 4.317 4.527 . 0 0 "[ . 1 . 2]" 1
516 1 30 PHE H 1 31 CYS H 5.800 . 5.800 4.439 4.380 4.481 . 0 0 "[ . 1 . 2]" 1
517 1 30 PHE H 1 97 ASP HA 6.000 . 6.000 5.944 5.317 6.033 0.033 8 0 "[ . 1 . 2]" 1
518 1 72 LEU H 1 73 ILE H 6.000 . 6.000 4.389 4.296 4.530 . 0 0 "[ . 1 . 2]" 1
519 1 72 LEU H 1 129 THR HB 4.800 . 4.800 1.670 1.610 1.819 . 0 0 "[ . 1 . 2]" 1
520 1 72 LEU H 1 72 LEU HB2 4.400 . 4.400 3.153 2.944 3.489 . 0 0 "[ . 1 . 2]" 1
521 1 34 GLY H 1 92 ALA H 5.400 . 5.400 4.471 4.375 4.576 . 0 0 "[ . 1 . 2]" 1
522 1 23 SER H 1 24 LEU H 4.000 . 4.000 2.725 2.643 2.760 . 0 0 "[ . 1 . 2]" 1
523 1 20 ARG H 1 23 SER H 6.000 . 6.000 4.586 4.417 4.772 . 0 0 "[ . 1 . 2]" 1
524 1 21 SER HA 1 23 SER H 5.500 . 5.500 4.743 4.426 4.922 . 0 0 "[ . 1 . 2]" 1
525 1 19 LEU HB3 1 23 SER H 6.000 . 6.000 5.448 5.293 5.600 . 0 0 "[ . 1 . 2]" 1
526 1 19 LEU HB2 1 23 SER H 6.000 . 6.000 5.857 5.732 5.981 . 0 0 "[ . 1 . 2]" 1
527 1 52 SER H 1 53 GLY H 6.000 . 6.000 4.217 4.136 4.354 . 0 0 "[ . 1 . 2]" 1
528 1 53 GLY H 1 54 SER H 6.000 . 6.000 4.512 4.469 4.570 . 0 0 "[ . 1 . 2]" 1
529 1 53 GLY H 1 68 GLY HA3 6.000 . 6.000 5.933 5.671 6.051 0.051 17 0 "[ . 1 . 2]" 1
530 1 16 ARG HA 1 19 LEU H 4.700 . 4.700 3.034 2.919 3.171 . 0 0 "[ . 1 . 2]" 1
531 1 16 ARG HB3 1 19 LEU H 6.000 . 6.000 4.874 4.602 5.219 . 0 0 "[ . 1 . 2]" 1
532 1 75 SER HB2 1 77 SER H 6.000 . 6.000 6.001 5.875 6.048 0.048 7 0 "[ . 1 . 2]" 1
533 1 66 ILE H 1 67 LEU H 6.000 . 6.000 4.066 3.970 4.187 . 0 0 "[ . 1 . 2]" 1
534 1 65 ALA H 1 66 ILE H 6.000 . 6.000 4.213 4.148 4.273 . 0 0 "[ . 1 . 2]" 1
535 1 66 ILE H 1 66 ILE HB 3.500 . 3.500 2.603 2.447 2.988 . 0 0 "[ . 1 . 2]" 1
536 1 76 ASP H 1 77 SER HB3 6.000 . 6.000 5.221 4.696 5.883 . 0 0 "[ . 1 . 2]" 1
537 1 62 THR H 1 62 THR HB 3.800 . 3.800 2.794 2.694 2.855 . 0 0 "[ . 1 . 2]" 1
538 1 59 LYS HB3 1 62 THR H 6.000 . 6.000 5.282 5.199 5.429 . 0 0 "[ . 1 . 2]" 1
539 1 59 LYS HB2 1 62 THR H 6.000 . 6.000 6.006 5.840 6.140 0.140 16 0 "[ . 1 . 2]" 1
540 1 119 LYS H 1 121 VAL H 4.800 . 4.800 4.641 4.453 4.818 0.018 6 0 "[ . 1 . 2]" 1
541 1 118 GLN HA 1 121 VAL H 6.000 . 6.000 4.073 3.954 4.246 . 0 0 "[ . 1 . 2]" 1
542 1 121 VAL H 1 121 VAL HB 4.000 . 4.000 3.437 2.486 3.609 . 0 0 "[ . 1 . 2]" 1
543 1 12 GLU H 1 13 SER H 4.100 . 4.100 2.687 2.419 2.786 . 0 0 "[ . 1 . 2]" 1
544 1 123 GLU H 1 124 ILE H 4.000 . 4.000 2.596 2.349 2.829 . 0 0 "[ . 1 . 2]" 1
545 1 124 ILE H 1 124 ILE HG13 3.900 . 3.900 3.988 3.939 4.064 0.164 17 0 "[ . 1 . 2]" 1
546 1 15 SER H 1 16 ARG H 6.000 . 6.000 4.619 4.593 4.642 . 0 0 "[ . 1 . 2]" 1
547 1 14 ALA H 1 15 SER H 6.000 . 6.000 4.501 4.443 4.557 . 0 0 "[ . 1 . 2]" 1
548 1 15 SER H 1 15 SER HB3 4.300 . 4.300 2.887 2.518 3.473 . 0 0 "[ . 1 . 2]" 1
549 1 132 LEU H 1 133 ARG H 5.300 . 5.300 4.395 4.338 4.449 . 0 0 "[ . 1 . 2]" 1
550 1 75 SER H 1 133 ARG H 6.000 . 6.000 6.018 5.809 6.112 0.112 12 0 "[ . 1 . 2]" 1
551 1 131 ASN HA 1 133 ARG H 6.000 . 6.000 5.655 5.610 5.705 . 0 0 "[ . 1 . 2]" 1
552 1 28 THR H 1 29 SER H 6.000 . 6.000 4.331 4.100 4.438 . 0 0 "[ . 1 . 2]" 1
553 1 27 LYS H 1 28 THR H 6.000 . 6.000 4.482 4.443 4.512 . 0 0 "[ . 1 . 2]" 1
554 1 19 LEU H 1 20 ARG H 3.800 . 3.800 2.575 2.456 2.697 . 0 0 "[ . 1 . 2]" 1
555 1 20 ARG H 1 20 ARG HD3 6.000 . 6.000 4.590 3.650 5.449 . 0 0 "[ . 1 . 2]" 1
556 1 10 LEU H 1 12 GLU H 6.000 . 6.000 4.181 3.523 4.965 . 0 0 "[ . 1 . 2]" 1
557 1 12 GLU H 1 14 ALA H 6.000 . 6.000 3.885 3.744 4.234 . 0 0 "[ . 1 . 2]" 1
558 1 9 PRO HA 1 12 GLU H 4.600 . 4.600 3.684 3.448 4.612 0.012 20 0 "[ . 1 . 2]" 1
559 1 12 GLU H 1 12 GLU HB3 3.500 . 3.500 2.665 2.430 3.117 . 0 0 "[ . 1 . 2]" 1
560 1 77 SER H 1 78 LEU H 4.900 . 4.900 2.594 2.492 2.691 . 0 0 "[ . 1 . 2]" 1
561 1 123 GLU H 1 125 GLN H 6.000 . 6.000 4.389 4.231 4.678 . 0 0 "[ . 1 . 2]" 1
562 1 121 VAL HA 1 123 GLU H 6.000 . 6.000 4.518 3.931 5.034 . 0 0 "[ . 1 . 2]" 1
563 1 123 GLU H 1 123 GLU HG3 4.800 . 4.800 3.692 2.254 4.486 . 0 0 "[ . 1 . 2]" 1
564 1 123 GLU H 1 123 GLU HB3 3.700 . 3.700 3.268 2.670 3.582 . 0 0 "[ . 1 . 2]" 1
565 1 123 GLU H 1 123 GLU HB2 4.000 . 4.000 2.232 2.060 2.484 . 0 0 "[ . 1 . 2]" 1
566 1 5 LEU H 1 6 LEU H 4.500 . 4.500 2.649 2.543 2.871 . 0 0 "[ . 1 . 2]" 1
567 1 2 ASN HD21 1 5 LEU H 6.000 . 6.000 5.630 4.883 6.016 0.016 5 0 "[ . 1 . 2]" 1
568 1 5 LEU H 1 5 LEU HB3 4.000 . 4.000 2.886 2.545 3.247 . 0 0 "[ . 1 . 2]" 1
569 1 5 LEU H 1 5 LEU HG 4.900 . 4.900 4.552 4.425 4.650 . 0 0 "[ . 1 . 2]" 1
570 1 5 LEU H 1 6 LEU HB3 6.000 . 6.000 5.031 4.703 5.397 . 0 0 "[ . 1 . 2]" 1
571 1 68 GLY H 1 69 LYS H 6.000 . 6.000 4.171 4.154 4.183 . 0 0 "[ . 1 . 2]" 1
572 1 54 SER HA 1 69 LYS H 5.800 . 5.800 4.465 4.169 4.655 . 0 0 "[ . 1 . 2]" 1
573 1 52 SER HA 1 69 LYS H 5.200 . 5.200 4.505 4.120 4.729 . 0 0 "[ . 1 . 2]" 1
574 1 69 LYS H 1 69 LYS HE3 6.000 . 6.000 4.603 3.676 6.015 0.015 17 0 "[ . 1 . 2]" 1
575 1 69 LYS H 1 69 LYS HB3 3.300 . 3.300 3.387 2.749 3.505 0.205 18 0 "[ . 1 . 2]" 1
576 1 69 LYS H 1 69 LYS HD3 4.600 . 4.600 3.505 1.702 4.621 0.021 13 0 "[ . 1 . 2]" 1
577 1 69 LYS H 1 69 LYS HG3 4.600 . 4.600 2.210 1.681 4.275 . 0 0 "[ . 1 . 2]" 1
578 1 50 VAL H 1 50 VAL HB 3.900 . 3.900 2.166 2.129 2.196 . 0 0 "[ . 1 . 2]" 1
579 1 51 CYS H 1 52 SER H 3.600 . 3.600 2.166 2.063 2.338 . 0 0 "[ . 1 . 2]" 1
580 1 52 SER H 1 97 ASP HA 6.000 . 6.000 5.497 5.225 5.630 . 0 0 "[ . 1 . 2]" 1
581 1 52 SER H 1 97 ASP HB2 6.000 . 6.000 5.119 4.438 5.650 . 0 0 "[ . 1 . 2]" 1
582 1 21 SER H 1 22 LEU H 3.600 . 3.600 2.741 2.643 2.814 . 0 0 "[ . 1 . 2]" 1
583 1 20 ARG H 1 21 SER H 6.000 . 6.000 2.361 2.315 2.396 . 0 0 "[ . 1 . 2]" 1
584 1 47 ILE H 1 101 ILE H 6.000 . 6.000 2.763 2.626 2.957 . 0 0 "[ . 1 . 2]" 1
585 1 19 LEU HA 1 21 SER H 5.200 . 5.200 4.165 3.953 4.364 . 0 0 "[ . 1 . 2]" 1
586 1 78 LEU H 1 79 THR H 4.700 . 4.700 2.756 2.553 2.864 . 0 0 "[ . 1 . 2]" 1
587 1 79 THR H 1 80 LYS H 4.300 . 4.300 2.562 2.138 3.260 . 0 0 "[ . 1 . 2]" 1
588 1 39 ARG H 1 40 GLN H 6.000 . 6.000 4.013 3.929 4.154 . 0 0 "[ . 1 . 2]" 1
589 1 40 GLN H 1 41 GLY H 6.000 . 6.000 4.419 4.375 4.505 . 0 0 "[ . 1 . 2]" 1
590 1 40 GLN H 1 42 ASP H 5.600 . 5.600 4.721 4.604 4.887 . 0 0 "[ . 1 . 2]" 1
591 1 40 GLN H 1 40 GLN HE21 6.000 . 6.000 4.931 2.161 6.006 0.006 14 0 "[ . 1 . 2]" 1
592 1 40 GLN H 1 89 ASN HA 6.000 . 6.000 2.378 2.127 2.799 . 0 0 "[ . 1 . 2]" 1
593 1 40 GLN H 1 88 ALA HA 6.000 . 6.000 4.165 3.827 4.538 . 0 0 "[ . 1 . 2]" 1
594 1 40 GLN H 1 40 GLN HG3 5.600 . 5.600 3.798 1.696 4.786 . 0 0 "[ . 1 . 2]" 1
595 1 116 TYR H 1 118 GLN H 5.400 . 5.400 4.631 4.565 4.708 . 0 0 "[ . 1 . 2]" 1
596 1 116 TYR H 1 116 TYR HB2 3.500 . 3.500 2.253 2.095 2.760 . 0 0 "[ . 1 . 2]" 1
597 1 35 GLU H 1 36 PHE H 6.000 . 6.000 4.549 4.533 4.580 . 0 0 "[ . 1 . 2]" 1
598 1 34 GLY H 1 35 GLU H 3.600 . 3.600 2.591 2.566 2.620 . 0 0 "[ . 1 . 2]" 1
599 1 35 GLU H 1 35 GLU HG3 4.300 . 4.300 4.414 4.386 4.446 0.146 9 0 "[ . 1 . 2]" 1
600 1 35 GLU H 1 35 GLU HB3 3.300 . 3.300 2.894 2.779 2.977 . 0 0 "[ . 1 . 2]" 1
601 1 33 PRO HB3 1 35 GLU H 6.000 . 6.000 5.179 5.114 5.211 . 0 0 "[ . 1 . 2]" 1
602 1 102 SER HB2 1 105 GLY H 6.000 . 6.000 3.035 2.799 3.334 . 0 0 "[ . 1 . 2]" 1
603 1 70 GLY H 1 71 ASP H 3.800 . 3.800 2.796 2.655 3.055 . 0 0 "[ . 1 . 2]" 1
604 1 71 ASP H 1 72 LEU H 6.000 . 6.000 4.622 4.564 4.651 . 0 0 "[ . 1 . 2]" 1
605 1 69 LYS H 1 71 ASP H 5.000 . 5.000 4.551 4.409 4.728 . 0 0 "[ . 1 . 2]" 1
606 1 71 ASP H 1 71 ASP HB3 4.300 . 4.300 2.340 2.192 3.581 . 0 0 "[ . 1 . 2]" 1
607 1 71 ASP H 1 71 ASP HB2 4.100 . 4.100 3.504 2.806 3.574 . 0 0 "[ . 1 . 2]" 1
608 1 50 VAL HB 1 71 ASP H 6.000 . 6.000 3.452 3.140 3.767 . 0 0 "[ . 1 . 2]" 1
609 1 69 LYS HB3 1 71 ASP H 6.000 . 6.000 5.052 4.818 5.150 . 0 0 "[ . 1 . 2]" 1
610 1 69 LYS HG3 1 71 ASP H 6.000 . 6.000 5.655 4.970 5.957 . 0 0 "[ . 1 . 2]" 1
611 1 130 TYR H 1 131 ASN H 6.000 . 6.000 4.187 4.092 4.390 . 0 0 "[ . 1 . 2]" 1
612 1 131 ASN H 1 131 ASN HB2 4.300 . 4.300 3.384 2.135 3.691 . 0 0 "[ . 1 . 2]" 1
613 1 109 VAL H 1 110 LEU H 3.400 . 3.400 2.658 2.493 2.771 . 0 0 "[ . 1 . 2]" 1
614 1 108 GLU H 1 109 VAL H 3.400 . 3.400 2.601 2.563 2.633 . 0 0 "[ . 1 . 2]" 1
615 1 109 VAL H 1 110 LEU HB3 6.000 . 6.000 5.652 5.576 5.720 . 0 0 "[ . 1 . 2]" 1
616 1 106 LEU HG 1 109 VAL H 6.000 . 6.000 5.293 5.203 5.375 . 0 0 "[ . 1 . 2]" 1
617 1 11 PHE H 1 12 GLU H 3.400 . 3.400 2.342 2.142 2.764 . 0 0 "[ . 1 . 2]" 1
618 1 9 PRO HA 1 11 PHE H 5.800 . 5.800 4.470 4.333 4.963 . 0 0 "[ . 1 . 2]" 1
619 1 9 PRO HB3 1 11 PHE H 6.000 . 6.000 6.081 6.023 6.212 0.212 15 0 "[ . 1 . 2]" 1
620 1 9 PRO HB2 1 11 PHE H 6.000 . 6.000 5.486 5.015 5.574 . 0 0 "[ . 1 . 2]" 1
621 1 41 GLY H 1 42 ASP H 3.400 . 3.400 2.328 2.141 2.514 . 0 0 "[ . 1 . 2]" 1
622 1 42 ASP H 1 42 ASP HB3 3.800 . 3.800 3.462 3.273 3.620 . 0 0 "[ . 1 . 2]" 1
623 1 42 ASP H 1 42 ASP HB2 3.800 . 3.800 2.215 2.108 2.465 . 0 0 "[ . 1 . 2]" 1
624 1 80 LYS HE3 1 82 GLN H 6.000 . 6.000 5.646 3.811 6.036 0.036 12 0 "[ . 1 . 2]" 1
625 1 82 GLN H 1 82 GLN HG2 5.400 . 5.400 4.627 3.963 5.276 . 0 0 "[ . 1 . 2]" 1
626 1 7 GLN H 1 8 LEU H 3.600 . 3.600 2.492 2.353 2.588 . 0 0 "[ . 1 . 2]" 1
627 1 6 LEU HA 1 8 LEU H 5.200 . 5.200 2.964 2.783 3.199 . 0 0 "[ . 1 . 2]" 1
628 1 5 LEU HG 1 8 LEU H 6.000 . 6.000 6.147 6.077 6.217 0.217 11 0 "[ . 1 . 2]" 1
629 1 80 LYS H 1 81 GLU H 4.700 . 4.700 2.605 1.860 3.029 . 0 0 "[ . 1 . 2]" 1
630 1 73 ILE H 1 74 GLY H 6.000 . 6.000 4.364 4.198 4.479 . 0 0 "[ . 1 . 2]" 1
631 1 74 GLY H 1 75 SER H 6.000 . 6.000 4.136 4.073 4.201 . 0 0 "[ . 1 . 2]" 1
632 1 74 GLY H 1 132 LEU HB2 6.000 . 6.000 2.791 1.972 5.445 . 0 0 "[ . 1 . 2]" 1
633 1 47 ILE H 1 102 SER HA 5.800 . 5.800 4.134 3.885 4.319 . 0 0 "[ . 1 . 2]" 1
634 1 47 ILE H 1 101 ILE HB 6.000 . 6.000 5.965 5.710 6.043 0.043 17 0 "[ . 1 . 2]" 1
635 1 47 ILE H 1 47 ILE HG13 4.900 . 4.900 4.473 4.329 4.610 . 0 0 "[ . 1 . 2]" 1
636 1 109 VAL H 1 111 ARG H 5.200 . 5.200 3.698 3.659 3.772 . 0 0 "[ . 1 . 2]" 1
637 1 108 GLU HB3 1 111 ARG H 6.000 . 6.000 4.913 4.784 5.041 . 0 0 "[ . 1 . 2]" 1
638 1 111 ARG H 1 112 LEU HB2 6.000 . 6.000 4.641 4.456 4.980 . 0 0 "[ . 1 . 2]" 1
639 1 124 ILE H 1 127 ASP H 6.000 . 6.000 5.486 5.059 5.816 . 0 0 "[ . 1 . 2]" 1
640 1 127 ASP H 1 128 LEU H 3.300 . 3.300 2.211 1.849 2.408 . 0 0 "[ . 1 . 2]" 1
641 1 124 ILE HA 1 127 ASP H 4.300 . 4.300 3.649 3.263 3.998 . 0 0 "[ . 1 . 2]" 1
642 1 127 ASP H 1 127 ASP HB2 3.600 . 3.600 2.817 2.433 3.649 0.049 14 0 "[ . 1 . 2]" 1
643 1 124 ILE H 1 125 GLN H 3.900 . 3.900 2.756 2.590 2.928 . 0 0 "[ . 1 . 2]" 1
644 1 125 GLN H 1 125 GLN HG3 3.300 . 3.300 2.731 1.608 3.434 0.134 2 0 "[ . 1 . 2]" 1
645 1 125 GLN H 1 125 GLN HB3 3.800 . 3.800 3.024 2.064 3.602 . 0 0 "[ . 1 . 2]" 1
646 1 45 GLN H 1 46 ALA H 3.600 . 3.600 1.909 1.759 2.041 . 0 0 "[ . 1 . 2]" 1
647 1 46 ALA H 1 102 SER HB3 6.000 . 6.000 6.001 5.886 6.042 0.042 11 0 "[ . 1 . 2]" 1
648 1 46 ALA H 1 103 LEU HB2 6.000 . 6.000 5.527 5.224 5.959 . 0 0 "[ . 1 . 2]" 1
649 1 109 VAL HA 1 112 LEU H 5.200 . 5.200 3.449 3.341 3.527 . 0 0 "[ . 1 . 2]" 1
650 1 112 LEU H 1 112 LEU HB2 3.600 . 3.600 2.263 2.084 2.707 . 0 0 "[ . 1 . 2]" 1
651 1 37 LEU H 1 38 ILE H 3.400 . 3.400 2.397 2.298 2.482 . 0 0 "[ . 1 . 2]" 1
652 1 38 ILE H 1 91 LYS HA 6.000 . 6.000 4.687 4.584 4.748 . 0 0 "[ . 1 . 2]" 1
653 1 38 ILE H 1 39 ARG HD3 6.000 . 6.000 5.940 4.041 6.085 0.085 1 0 "[ . 1 . 2]" 1
654 1 38 ILE H 1 39 ARG HB3 6.000 . 6.000 6.115 5.998 6.386 0.386 18 0 "[ . 1 . 2]" 1
655 1 10 LEU H 1 11 PHE H 3.900 . 3.900 2.893 2.661 3.021 . 0 0 "[ . 1 . 2]" 1
656 1 8 LEU HA 1 10 LEU H 5.800 . 5.800 3.949 3.372 4.310 . 0 0 "[ . 1 . 2]" 1
657 1 10 LEU H 1 10 LEU HB3 4.300 . 4.300 3.052 2.855 3.200 . 0 0 "[ . 1 . 2]" 1
658 1 6 LEU HB2 1 10 LEU H 6.000 . 6.000 6.202 6.087 6.356 0.356 11 0 "[ . 1 . 2]" 1
659 1 10 LEU H 1 10 LEU HB2 3.600 . 3.600 3.570 3.525 3.624 0.024 20 0 "[ . 1 . 2]" 1
660 1 126 HIS H 1 127 ASP HA 6.000 . 6.000 5.296 5.128 5.351 . 0 0 "[ . 1 . 2]" 1
661 1 123 GLU HA 1 126 HIS H 4.800 . 4.800 3.696 3.297 3.898 . 0 0 "[ . 1 . 2]" 1
662 1 124 ILE HA 1 126 HIS H 5.200 . 5.200 3.892 3.722 4.560 . 0 0 "[ . 1 . 2]" 1
663 1 126 HIS H 1 126 HIS HB3 3.500 . 3.500 2.538 2.067 3.544 0.044 13 0 "[ . 1 . 2]" 1
664 1 109 VAL HA 1 113 TYR H 6.000 . 6.000 5.154 5.018 5.216 . 0 0 "[ . 1 . 2]" 1
665 1 111 ARG HG3 1 113 TYR H 6.000 . 6.000 5.807 5.299 6.026 0.026 17 0 "[ . 1 . 2]" 1
666 1 110 LEU HB2 1 113 TYR H 6.000 . 6.000 5.191 5.126 5.272 . 0 0 "[ . 1 . 2]" 1
667 1 107 ARG H 1 108 GLU H 3.500 . 3.500 2.611 2.541 2.661 . 0 0 "[ . 1 . 2]" 1
668 1 108 GLU H 1 108 GLU HG2 5.600 . 5.600 4.445 4.170 4.680 . 0 0 "[ . 1 . 2]" 1
669 1 108 GLU H 1 108 GLU HB3 3.600 . 3.600 2.656 2.276 2.969 . 0 0 "[ . 1 . 2]" 1
670 1 64 LEU H 1 65 ALA H 3.400 . 3.400 2.456 2.409 2.593 . 0 0 "[ . 1 . 2]" 1
671 1 57 VAL H 1 65 ALA H 3.900 . 3.900 2.814 2.490 3.037 . 0 0 "[ . 1 . 2]" 1
672 1 63 VAL HA 1 65 ALA H 5.800 . 5.800 3.435 3.356 3.659 . 0 0 "[ . 1 . 2]" 1
673 1 56 GLU HG2 1 65 ALA H 6.000 . 6.000 6.068 6.023 6.203 0.203 9 0 "[ . 1 . 2]" 1
674 1 56 GLU HB3 1 65 ALA H 6.000 . 6.000 4.951 3.847 5.341 . 0 0 "[ . 1 . 2]" 1
675 1 118 GLN H 1 120 PHE H 6.000 . 6.000 4.006 3.963 4.056 . 0 0 "[ . 1 . 2]" 1
676 1 118 GLN H 1 121 VAL H 6.000 . 6.000 5.623 5.489 5.777 . 0 0 "[ . 1 . 2]" 1
677 1 114 PRO HA 1 118 GLN H 6.000 . 6.000 3.501 3.194 4.163 . 0 0 "[ . 1 . 2]" 1
678 1 115 GLU HA 1 118 GLN H 4.700 . 4.700 4.025 3.747 4.237 . 0 0 "[ . 1 . 2]" 1
679 1 118 GLN H 1 118 GLN HG2 3.900 . 3.900 2.161 2.027 2.219 . 0 0 "[ . 1 . 2]" 1
680 1 118 GLN H 1 118 GLN HG3 5.200 . 5.200 3.628 3.350 3.700 . 0 0 "[ . 1 . 2]" 1
681 1 118 GLN H 1 118 GLN HB3 3.410 . 3.410 3.570 3.535 3.580 0.170 11 0 "[ . 1 . 2]" 1
682 1 118 GLN H 1 119 LYS HB3 6.000 . 6.000 5.436 5.032 5.877 . 0 0 "[ . 1 . 2]" 1
683 1 23 SER H 1 25 ILE H 6.000 . 6.000 4.129 4.062 4.198 . 0 0 "[ . 1 . 2]" 1
684 1 22 LEU HA 1 25 ILE H 4.500 . 4.500 3.427 3.345 3.480 . 0 0 "[ . 1 . 2]" 1
685 1 6 LEU H 1 7 GLN H 3.300 . 3.300 3.042 2.913 3.121 . 0 0 "[ . 1 . 2]" 1
686 1 7 GLN H 1 7 GLN HB2 3.900 . 3.900 2.689 2.193 3.608 . 0 0 "[ . 1 . 2]" 1
687 1 4 GLU HB2 1 7 GLN H 5.200 . 5.200 4.914 4.458 5.230 0.030 1 0 "[ . 1 . 2]" 1
688 1 120 PHE H 1 122 SER H 6.000 . 6.000 4.267 4.010 4.473 . 0 0 "[ . 1 . 2]" 1
689 1 121 VAL H 1 122 SER H 3.500 . 3.500 2.744 2.543 2.862 . 0 0 "[ . 1 . 2]" 1
690 1 122 SER H 1 123 GLU H 3.400 . 3.400 2.432 2.320 2.840 . 0 0 "[ . 1 . 2]" 1
691 1 122 SER H 1 125 GLN H 6.000 . 6.000 5.366 5.174 5.816 . 0 0 "[ . 1 . 2]" 1
692 1 119 LYS HA 1 122 SER H 4.800 . 4.800 3.521 3.293 3.647 . 0 0 "[ . 1 . 2]" 1
693 1 122 SER H 1 122 SER HB3 3.300 . 3.300 2.384 2.090 2.785 . 0 0 "[ . 1 . 2]" 1
694 1 126 HIS HA 1 128 LEU H 6.000 . 6.000 4.122 3.834 4.842 . 0 0 "[ . 1 . 2]" 1
695 1 125 GLN HA 1 128 LEU H 5.400 . 5.400 3.119 2.731 3.551 . 0 0 "[ . 1 . 2]" 1
696 1 128 LEU H 1 128 LEU HB3 3.800 . 3.800 2.606 2.175 3.307 . 0 0 "[ . 1 . 2]" 1
697 1 128 LEU H 1 128 LEU HB2 3.800 . 3.800 2.542 2.082 2.939 . 0 0 "[ . 1 . 2]" 1
698 1 13 SER H 1 14 ALA H 3.600 . 3.600 2.389 2.051 2.520 . 0 0 "[ . 1 . 2]" 1
699 1 11 PHE H 1 14 ALA H 6.000 . 6.000 4.765 4.453 5.076 . 0 0 "[ . 1 . 2]" 1
700 1 14 ALA H 1 18 CYS H 6.000 . 6.000 6.169 6.122 6.268 0.268 15 0 "[ . 1 . 2]" 1
701 1 129 THR H 1 130 TYR H 3.600 . 3.600 2.323 2.143 2.513 . 0 0 "[ . 1 . 2]" 1
702 1 72 LEU H 1 130 TYR H 5.200 . 5.200 3.177 2.664 3.738 . 0 0 "[ . 1 . 2]" 1
703 1 73 ILE HA 1 130 TYR H 4.500 . 4.500 4.176 3.679 4.518 0.018 12 0 "[ . 1 . 2]" 1
704 1 71 ASP HB2 1 130 TYR H 6.000 . 6.000 4.974 4.655 5.901 . 0 0 "[ . 1 . 2]" 1
705 1 72 LEU HB2 1 130 TYR H 6.000 . 6.000 4.505 3.919 5.385 . 0 0 "[ . 1 . 2]" 1
706 1 72 LEU HG 1 130 TYR H 6.000 . 6.000 4.379 3.777 4.860 . 0 0 "[ . 1 . 2]" 1
707 1 54 SER H 1 94 THR HA 6.000 . 6.000 4.611 4.418 4.754 . 0 0 "[ . 1 . 2]" 1
708 1 54 SER H 1 95 TYR HB2 6.000 . 6.000 6.060 6.012 6.103 0.103 4 0 "[ . 1 . 2]" 1
709 1 93 LEU H 1 94 THR H 3.500 . 3.500 2.560 2.493 2.591 . 0 0 "[ . 1 . 2]" 1
710 1 53 GLY HA3 1 94 THR H 6.000 . 6.000 5.230 5.004 5.373 . 0 0 "[ . 1 . 2]" 1
711 1 92 ALA HA 1 94 THR H 6.000 . 6.000 3.989 3.823 4.073 . 0 0 "[ . 1 . 2]" 1
712 1 24 LEU H 1 25 ILE H 3.600 . 3.600 2.580 2.542 2.620 . 0 0 "[ . 1 . 2]" 1
713 1 87 ASN H 1 88 ALA H 4.000 . 4.000 2.388 2.172 2.624 . 0 0 "[ . 1 . 2]" 1
714 1 88 ALA H 1 89 ASN H 6.000 . 6.000 4.413 4.389 4.433 . 0 0 "[ . 1 . 2]" 1
715 1 86 THR HA 1 88 ALA H 6.000 . 6.000 3.682 3.405 4.137 . 0 0 "[ . 1 . 2]" 1
716 1 40 GLN HG3 1 88 ALA H 6.000 . 6.000 5.227 4.367 6.104 0.104 16 0 "[ . 1 . 2]" 1
717 1 40 GLN HB3 1 88 ALA H 6.000 . 6.000 5.570 3.997 6.074 0.074 8 0 "[ . 1 . 2]" 1
718 1 59 LYS HB3 1 88 ALA H 6.000 . 6.000 5.962 5.623 6.123 0.123 8 0 "[ . 1 . 2]" 1
719 1 118 GLN H 1 119 LYS H 3.400 . 3.400 2.631 2.543 2.671 . 0 0 "[ . 1 . 2]" 1
720 1 118 GLN HE21 1 119 LYS H 6.000 . 6.000 4.858 4.226 5.497 . 0 0 "[ . 1 . 2]" 1
721 1 116 TYR HA 1 119 LYS H 6.000 . 6.000 3.636 3.345 3.745 . 0 0 "[ . 1 . 2]" 1
722 1 115 GLU HA 1 119 LYS H 5.500 . 5.500 4.519 4.363 4.742 . 0 0 "[ . 1 . 2]" 1
723 1 117 ALA HA 1 119 LYS H 6.000 . 6.000 3.983 3.786 4.121 . 0 0 "[ . 1 . 2]" 1
724 1 119 LYS H 1 119 LYS HB3 3.300 . 3.300 2.980 2.639 3.337 0.037 1 0 "[ . 1 . 2]" 1
725 1 119 LYS H 1 119 LYS HG3 4.900 . 4.900 4.171 3.398 4.477 . 0 0 "[ . 1 . 2]" 1
726 1 17 GLY H 1 18 CYS H 4.800 . 4.800 2.725 2.687 2.766 . 0 0 "[ . 1 . 2]" 1
727 1 18 CYS H 1 19 LEU H 3.800 . 3.800 2.504 2.432 2.615 . 0 0 "[ . 1 . 2]" 1
728 1 18 CYS H 1 18 CYS HB3 4.300 . 4.300 3.159 3.034 3.276 . 0 0 "[ . 1 . 2]" 1
729 1 18 CYS H 1 18 CYS HB2 3.800 . 3.800 2.139 2.091 2.196 . 0 0 "[ . 1 . 2]" 1
730 1 75 SER H 1 131 ASN HD21 6.000 . 6.000 5.535 4.304 6.009 0.009 4 0 "[ . 1 . 2]" 1
731 1 26 ILE H 1 27 LYS H 6.000 . 6.000 4.567 4.552 4.587 . 0 0 "[ . 1 . 2]" 1
732 1 25 ILE H 1 26 ILE H 3.300 . 3.300 2.501 2.467 2.554 . 0 0 "[ . 1 . 2]" 1
733 1 24 LEU H 1 26 ILE H 5.600 . 5.600 3.982 3.957 4.006 . 0 0 "[ . 1 . 2]" 1
734 1 23 SER HA 1 26 ILE H 4.800 . 4.800 2.778 2.656 2.849 . 0 0 "[ . 1 . 2]" 1
735 1 26 ILE H 1 26 ILE HG12 4.700 . 4.700 3.102 2.932 3.239 . 0 0 "[ . 1 . 2]" 1
736 1 22 LEU H 1 24 LEU H 6.000 . 6.000 3.927 3.873 4.012 . 0 0 "[ . 1 . 2]" 1
737 1 19 LEU HA 1 22 LEU H 4.500 . 4.500 3.333 3.085 3.489 . 0 0 "[ . 1 . 2]" 1
738 1 22 LEU H 1 22 LEU HG 4.500 . 4.500 4.258 4.225 4.306 . 0 0 "[ . 1 . 2]" 1
739 1 20 ARG HG2 1 22 LEU H 6.000 . 6.000 6.070 5.896 6.280 0.280 13 0 "[ . 1 . 2]" 1
740 1 28 THR HB 1 99 GLN HA . . 4.201 3.909 3.112 4.211 0.010 10 0 "[ . 1 . 2]" 1
741 1 90 VAL HA 1 91 LYS HA 4.610 . 4.610 4.376 4.352 4.392 . 0 0 "[ . 1 . 2]" 1
742 1 57 VAL HA 1 90 VAL HB 4.580 . 4.580 4.792 4.670 4.961 0.381 17 0 "[ . 1 . 2]" 1
743 1 95 TYR HA 1 95 TYR HD2 4.220 . 4.220 3.984 3.748 4.166 . 0 0 "[ . 1 . 2]" 1
744 1 116 TYR HA 1 116 TYR HD1 . . 3.448 2.582 2.170 3.438 . 0 0 "[ . 1 . 2]" 1
745 1 122 SER HA 1 122 SER HB2 2.810 . 2.810 2.371 2.237 2.621 . 0 0 "[ . 1 . 2]" 1
746 1 133 ARG HA 1 133 ARG HD2 5.440 . 5.440 4.710 3.923 5.466 0.026 12 0 "[ . 1 . 2]" 1
747 1 133 ARG HA 1 133 ARG HD3 . . 4.690 4.546 4.237 4.740 0.050 12 0 "[ . 1 . 2]" 1
748 1 11 PHE HA 1 11 PHE HD1 . . 3.365 3.624 3.485 3.741 0.376 6 0 "[ . 1 . 2]" 1
749 1 106 LEU HA 1 106 LEU HG 4.060 . 4.060 2.450 2.193 2.590 . 0 0 "[ . 1 . 2]" 1
750 1 24 LEU HA 1 24 LEU HG . . 3.319 3.478 3.473 3.485 0.166 16 0 "[ . 1 . 2]" 1
751 1 56 GLU HG3 1 93 LEU HA 4.400 . 4.400 4.517 4.483 4.552 0.152 8 0 "[ . 1 . 2]" 1
752 1 30 PHE HA 1 30 PHE HD1 . . 4.510 3.952 3.562 4.337 . 0 0 "[ . 1 . 2]" 1
753 1 49 PHE HA 1 49 PHE HD1 4.540 . 4.540 3.198 2.991 3.455 . 0 0 "[ . 1 . 2]" 1
754 1 82 GLN HA 1 83 VAL HA 4.980 . 4.980 4.326 4.299 4.391 . 0 0 "[ . 1 . 2]" 1
755 1 85 LYS HA 1 85 LYS HG3 4.020 . 4.020 3.553 2.375 3.751 . 0 0 "[ . 1 . 2]" 1
756 1 58 LEU HA 1 58 LEU HG 4.150 . 4.150 2.889 2.466 3.623 . 0 0 "[ . 1 . 2]" 1
757 1 72 LEU HA 1 72 LEU HG . . 3.722 2.833 2.634 3.734 0.012 6 0 "[ . 1 . 2]" 1
758 1 16 ARG HD3 1 16 ARG HG2 2.600 . 2.600 2.398 2.254 2.647 0.047 3 0 "[ . 1 . 2]" 1
759 1 16 ARG HA 1 16 ARG HD2 3.310 . 3.310 2.606 2.188 3.251 . 0 0 "[ . 1 . 2]" 1
760 1 16 ARG HA 1 16 ARG HD3 3.760 . 3.760 3.109 2.220 3.785 0.025 7 0 "[ . 1 . 2]" 1
761 1 16 ARG HB2 1 16 ARG HD2 4.000 . 4.000 3.437 2.780 3.827 . 0 0 "[ . 1 . 2]" 1
762 1 111 ARG HA 1 111 ARG HG2 4.020 . 4.020 2.980 2.430 3.628 . 0 0 "[ . 1 . 2]" 1
763 1 111 ARG HA 1 111 ARG HG3 . . 3.450 2.279 2.134 2.558 . 0 0 "[ . 1 . 2]" 1
764 1 19 LEU HA 1 19 LEU HG 4.200 . 4.200 3.032 2.671 3.236 . 0 0 "[ . 1 . 2]" 1
765 1 22 LEU HA 1 22 LEU HG 3.750 . 3.750 2.291 2.221 2.401 . 0 0 "[ . 1 . 2]" 1
766 1 16 ARG HA 1 16 ARG HG2 3.380 . 3.380 2.869 2.172 3.496 0.116 7 0 "[ . 1 . 2]" 1
767 1 37 LEU HA 1 37 LEU HG 4.270 . 4.270 2.766 2.483 3.591 . 0 0 "[ . 1 . 2]" 1
768 1 85 LYS HA 1 85 LYS HG2 . . 3.560 3.444 2.808 3.645 0.085 12 0 "[ . 1 . 2]" 1
769 1 43 ALA MB 1 44 LEU H 4.500 . 4.500 3.184 2.717 3.480 . 0 0 "[ . 1 . 2]" 1
770 1 92 ALA MB 1 93 LEU H 4.700 . 4.700 3.275 3.205 3.333 . 0 0 "[ . 1 . 2]" 1
771 1 88 ALA MB 1 89 ASN H 3.600 . 3.600 1.873 1.807 2.022 . 0 0 "[ . 1 . 2]" 1
772 1 65 ALA MB 1 66 ILE H 3.500 . 3.500 3.060 3.022 3.128 . 0 0 "[ . 1 . 2]" 1
773 1 14 ALA MB 1 15 SER H 4.300 . 4.300 2.550 2.333 2.870 . 0 0 "[ . 1 . 2]" 1
774 1 46 ALA MB 1 47 ILE H 3.600 . 3.600 2.499 2.252 2.838 . 0 0 "[ . 1 . 2]" 1
775 1 117 ALA MB 1 118 GLN H 3.600 . 3.600 2.223 2.205 2.257 . 0 0 "[ . 1 . 2]" 1
776 1 5 LEU MD1 1 6 LEU H 6.000 . 6.000 3.748 3.133 4.257 . 0 0 "[ . 1 . 2]" 1
777 1 5 LEU MD2 1 6 LEU H 6.000 . 6.000 4.554 4.288 4.748 . 0 0 "[ . 1 . 2]" 1
778 1 6 LEU H 1 6 LEU MD1 4.700 . 4.700 3.511 3.014 4.046 . 0 0 "[ . 1 . 2]" 1
779 1 98 LEU H 1 98 LEU MD1 5.400 . 5.400 2.459 1.808 4.462 . 0 0 "[ . 1 . 2]" 1
780 1 10 LEU MD1 1 11 PHE H 6.000 . 6.000 1.956 1.807 2.169 . 0 0 "[ . 1 . 2]" 1
781 1 10 LEU MD2 1 11 PHE H 6.000 . 6.000 4.000 3.645 4.231 . 0 0 "[ . 1 . 2]" 1
782 1 19 LEU MD2 1 20 ARG H 6.000 . 6.000 4.618 4.330 4.842 . 0 0 "[ . 1 . 2]" 1
783 1 22 LEU MD1 1 23 SER H 6.000 . 6.000 4.354 4.244 4.413 . 0 0 "[ . 1 . 2]" 1
784 1 24 LEU MD2 1 25 ILE H 6.000 . 6.000 4.298 4.267 4.359 . 0 0 "[ . 1 . 2]" 1
785 1 26 ILE H 1 26 ILE MD 5.600 . 5.600 4.036 3.954 4.099 . 0 0 "[ . 1 . 2]" 1
786 1 26 ILE H 1 26 ILE MG 3.900 . 3.900 3.427 3.356 3.515 . 0 0 "[ . 1 . 2]" 1
787 1 22 LEU MD2 1 27 LYS H 6.000 . 6.000 6.203 6.142 6.286 0.286 2 0 "[ . 1 . 2]" 1
788 1 26 ILE MG 1 27 LYS H 4.500 . 4.500 2.645 2.383 2.788 . 0 0 "[ . 1 . 2]" 1
789 1 37 LEU MD2 1 38 ILE H 6.000 . 6.000 4.302 2.879 4.697 . 0 0 "[ . 1 . 2]" 1
790 1 124 ILE MG 1 126 HIS H 6.000 . 6.000 4.076 4.037 4.135 . 0 0 "[ . 1 . 2]" 1
791 1 38 ILE MG 1 39 ARG H 4.300 . 4.300 3.177 2.547 3.959 . 0 0 "[ . 1 . 2]" 1
792 1 38 ILE MD 1 39 ARG H 6.000 . 6.000 3.487 2.449 4.298 . 0 0 "[ . 1 . 2]" 1
793 1 44 LEU MD2 1 45 GLN H 6.000 . 6.000 4.203 3.496 4.733 . 0 0 "[ . 1 . 2]" 1
794 1 47 ILE MD 1 48 TYR H 6.000 . 6.000 3.678 1.918 4.411 . 0 0 "[ . 1 . 2]" 1
795 1 47 ILE MG 1 48 TYR H 5.800 . 5.800 3.969 3.670 4.196 . 0 0 "[ . 1 . 2]" 1
796 1 57 VAL H 1 57 VAL MG1 4.300 . 4.300 1.954 1.626 2.502 . 0 0 "[ . 1 . 2]" 1
797 1 57 VAL MG1 1 58 LEU H 5.100 . 5.100 4.282 4.116 4.394 . 0 0 "[ . 1 . 2]" 1
798 1 57 VAL MG2 1 58 LEU H 5.600 . 5.600 3.466 3.167 3.818 . 0 0 "[ . 1 . 2]" 1
799 1 58 LEU MD1 1 59 LYS H 6.000 . 6.000 3.701 1.766 4.872 . 0 0 "[ . 1 . 2]" 1
800 1 62 THR MG 1 63 VAL H 4.300 . 4.300 1.857 1.745 1.984 . 0 0 "[ . 1 . 2]" 1
801 1 64 LEU H 1 64 LEU MD1 4.900 . 4.900 2.906 1.924 3.223 . 0 0 "[ . 1 . 2]" 1
802 1 64 LEU MD1 1 65 ALA H 6.000 . 6.000 4.624 3.846 4.907 . 0 0 "[ . 1 . 2]" 1
803 1 66 ILE MD 1 67 LEU H 6.000 . 6.000 4.815 4.268 4.945 . 0 0 "[ . 1 . 2]" 1
804 1 67 LEU MD1 1 68 GLY H 6.000 . 6.000 3.795 3.722 3.836 . 0 0 "[ . 1 . 2]" 1
805 1 72 LEU MD1 1 73 ILE H 6.000 . 6.000 2.690 1.948 2.970 . 0 0 "[ . 1 . 2]" 1
806 1 73 ILE MD 1 74 GLY H 3.600 . 3.600 2.054 1.712 2.397 . 0 0 "[ . 1 . 2]" 1
807 1 73 ILE MG 1 74 GLY H 4.500 . 4.500 4.032 2.382 4.312 . 0 0 "[ . 1 . 2]" 1
808 1 79 THR H 1 79 THR MG 4.300 . 4.300 3.649 3.218 3.799 . 0 0 "[ . 1 . 2]" 1
809 1 78 LEU MD2 1 79 THR H 6.000 . 6.000 5.152 4.625 5.313 . 0 0 "[ . 1 . 2]" 1
810 1 83 VAL MG1 1 84 ILE H 5.800 . 5.800 4.242 3.870 4.434 . 0 0 "[ . 1 . 2]" 1
811 1 84 ILE MD 1 85 LYS H 6.000 . 6.000 4.939 3.723 5.445 . 0 0 "[ . 1 . 2]" 1
812 1 86 THR MG 1 87 ASN H 4.900 . 4.900 2.968 2.479 3.991 . 0 0 "[ . 1 . 2]" 1
813 1 90 VAL MG2 1 91 LYS H 4.100 . 4.100 3.647 3.474 3.801 . 0 0 "[ . 1 . 2]" 1
814 1 93 LEU MD2 1 94 THR H 6.000 . 6.000 4.535 4.480 4.602 . 0 0 "[ . 1 . 2]" 1
815 1 94 THR MG 1 95 TYR H 4.900 . 4.900 3.162 1.943 3.977 . 0 0 "[ . 1 . 2]" 1
816 1 98 LEU MD1 1 99 GLN H 6.000 . 6.000 4.823 4.352 4.986 . 0 0 "[ . 1 . 2]" 1
817 1 101 ILE MG 1 102 SER H 6.000 . 6.000 4.165 4.022 4.302 . 0 0 "[ . 1 . 2]" 1
818 1 101 ILE MD 1 102 SER H 5.000 . 5.000 3.633 3.302 4.342 . 0 0 "[ . 1 . 2]" 1
819 1 103 LEU MD1 1 104 LYS H 6.000 . 6.000 4.294 3.843 4.969 . 0 0 "[ . 1 . 2]" 1
820 1 101 ILE MD 1 105 GLY H 6.000 . 6.000 4.402 4.087 4.733 . 0 0 "[ . 1 . 2]" 1
821 1 105 GLY H 1 106 LEU MD2 6.000 . 6.000 5.849 5.554 6.145 0.145 13 0 "[ . 1 . 2]" 1
822 1 103 LEU MD1 1 107 ARG H 6.000 . 6.000 4.033 3.084 5.831 . 0 0 "[ . 1 . 2]" 1
823 1 106 LEU MD2 1 107 ARG H 6.000 . 6.000 2.868 2.350 3.503 . 0 0 "[ . 1 . 2]" 1
824 1 109 VAL MG1 1 110 LEU H 6.000 . 6.000 3.868 3.829 3.963 . 0 0 "[ . 1 . 2]" 1
825 1 110 LEU MD1 1 111 ARG H 6.000 . 6.000 4.352 4.114 4.472 . 0 0 "[ . 1 . 2]" 1
826 1 121 VAL MG1 1 122 SER H 4.600 . 4.600 3.748 3.378 3.955 . 0 0 "[ . 1 . 2]" 1
827 1 124 ILE MD 1 125 GLN H 6.000 . 6.000 4.453 4.215 4.683 . 0 0 "[ . 1 . 2]" 1
828 1 124 ILE MG 1 125 GLN H 5.200 . 5.200 1.867 1.726 2.058 . 0 0 "[ . 1 . 2]" 1
829 1 128 LEU MD1 1 129 THR H 6.000 . 6.000 3.139 2.128 4.471 . 0 0 "[ . 1 . 2]" 1
830 1 129 THR MG 1 130 TYR H 5.400 . 5.400 2.980 2.601 3.569 . 0 0 "[ . 1 . 2]" 1
831 1 132 LEU MD1 1 133 ARG H 5.300 . 5.300 3.267 2.129 4.639 . 0 0 "[ . 1 . 2]" 1
832 1 49 PHE H 1 98 LEU MD1 6.000 . 6.000 5.603 3.736 6.042 0.042 15 0 "[ . 1 . 2]" 1
833 1 47 ILE MG 1 49 PHE H 6.000 . 6.000 5.431 5.017 5.619 . 0 0 "[ . 1 . 2]" 1
834 1 43 ALA MB 1 45 GLN H 6.000 . 6.000 4.635 4.427 5.006 . 0 0 "[ . 1 . 2]" 1
835 1 87 ASN H 1 88 ALA MB 6.000 . 6.000 4.090 3.808 4.438 . 0 0 "[ . 1 . 2]" 1
836 1 25 ILE MD 1 102 SER H 6.000 . 6.000 4.997 4.657 5.474 . 0 0 "[ . 1 . 2]" 1
837 1 56 GLU H 1 93 LEU MD1 6.000 . 6.000 3.450 3.293 3.839 . 0 0 "[ . 1 . 2]" 1
838 1 57 VAL MG2 1 64 LEU H 6.000 . 6.000 2.277 2.126 2.460 . 0 0 "[ . 1 . 2]" 1
839 1 100 TYR H 1 100 TYR QE 6.000 . 6.000 3.931 3.823 4.388 . 0 0 "[ . 1 . 2]" 1
840 1 100 TYR H 1 101 ILE MG 6.000 . 6.000 3.941 3.810 4.273 . 0 0 "[ . 1 . 2]" 1
841 1 100 TYR H 1 101 ILE MD 6.000 . 6.000 6.095 6.025 6.197 0.197 8 0 "[ . 1 . 2]" 1
842 1 26 ILE MD 1 100 TYR H 6.000 . 6.000 4.591 4.133 5.041 . 0 0 "[ . 1 . 2]" 1
843 1 67 LEU H 1 67 LEU MD1 4.600 . 4.600 2.021 1.856 2.212 . 0 0 "[ . 1 . 2]" 1
844 1 37 LEU MD2 1 91 LYS H 6.000 . 6.000 6.007 5.816 6.081 0.081 20 0 "[ . 1 . 2]" 1
845 1 36 PHE QD 1 90 VAL H 6.000 . 6.000 4.829 2.734 5.841 . 0 0 "[ . 1 . 2]" 1
846 1 50 VAL MG1 1 70 GLY H 6.000 . 6.000 1.595 1.552 1.648 . 0 0 "[ . 1 . 2]" 1
847 1 16 ARG H 1 19 LEU MD2 6.000 . 6.000 5.696 5.499 5.953 . 0 0 "[ . 1 . 2]" 1
848 1 28 THR MG 1 29 SER H 5.200 . 5.200 4.146 3.663 4.426 . 0 0 "[ . 1 . 2]" 1
849 1 29 SER H 1 98 LEU MD1 6.000 . 6.000 4.760 4.417 5.490 . 0 0 "[ . 1 . 2]" 1
850 1 117 ALA H 1 117 ALA MB 3.300 . 3.300 2.165 2.119 2.202 . 0 0 "[ . 1 . 2]" 1
851 1 110 LEU MD2 1 117 ALA H 6.000 . 6.000 4.258 3.982 4.492 . 0 0 "[ . 1 . 2]" 1
852 1 84 ILE MG 1 134 GLU H 6.000 . 6.000 2.740 1.957 3.439 . 0 0 "[ . 1 . 2]" 1
853 1 58 LEU MD1 1 61 ASN H 6.000 . 6.000 4.702 2.659 6.027 0.027 5 0 "[ . 1 . 2]" 1
854 1 32 ALA H 1 32 ALA MB 3.400 . 3.400 2.239 2.127 2.299 . 0 0 "[ . 1 . 2]" 1
855 1 48 TYR H 1 48 TYR QD 4.800 . 4.800 1.856 1.533 2.528 . 0 0 "[ . 1 . 2]" 1
856 1 86 THR H 1 132 LEU MD1 6.000 . 6.000 4.561 3.213 5.524 . 0 0 "[ . 1 . 2]" 1
857 1 92 ALA H 1 92 ALA MB . . 3.150 2.088 2.039 2.190 . 0 0 "[ . 1 . 2]" 1
858 1 132 LEU H 1 132 LEU MD1 5.800 . 5.800 4.076 3.738 4.307 . 0 0 "[ . 1 . 2]" 1
859 1 73 ILE MD 1 132 LEU H 6.000 . 6.000 3.738 2.989 4.358 . 0 0 "[ . 1 . 2]" 1
860 1 59 LYS H 1 62 THR MG 6.000 . 6.000 5.017 4.845 5.149 . 0 0 "[ . 1 . 2]" 1
861 1 55 MET H 1 67 LEU MD1 6.000 . 6.000 2.765 2.585 2.904 . 0 0 "[ . 1 . 2]" 1
862 1 92 ALA MB 1 96 CYS H 6.000 . 6.000 3.588 3.353 3.817 . 0 0 "[ . 1 . 2]" 1
863 1 31 CYS H 1 98 LEU MD1 5.200 . 5.200 2.615 1.935 5.223 0.023 19 0 "[ . 1 . 2]" 1
864 1 58 LEU MD1 1 89 ASN H 6.000 . 6.000 5.567 4.165 6.069 0.069 12 0 "[ . 1 . 2]" 1
865 1 57 VAL MG2 1 89 ASN H 6.000 . 6.000 3.738 3.259 4.282 . 0 0 "[ . 1 . 2]" 1
866 1 101 ILE MG 1 106 LEU H 6.000 . 6.000 4.901 4.180 5.121 . 0 0 "[ . 1 . 2]" 1
867 1 101 ILE MD 1 106 LEU H 6.000 . 6.000 2.981 2.838 3.083 . 0 0 "[ . 1 . 2]" 1
868 1 41 GLY H 1 86 THR MG 6.000 . 6.000 4.265 3.586 5.159 . 0 0 "[ . 1 . 2]" 1
869 1 101 ILE MG 1 103 LEU H 6.000 . 6.000 5.600 5.416 5.646 . 0 0 "[ . 1 . 2]" 1
870 1 43 ALA H 1 43 ALA MB 3.000 . 3.000 2.313 2.104 2.432 . 0 0 "[ . 1 . 2]" 1
871 1 95 TYR H 1 95 TYR HD2 5.000 . 5.000 3.384 2.664 3.679 . 0 0 "[ . 1 . 2]" 1
872 1 106 LEU MD2 1 110 LEU H 6.000 . 6.000 4.380 3.974 4.905 . 0 0 "[ . 1 . 2]" 1
873 1 110 LEU H 1 110 LEU MD2 5.800 . 5.800 3.862 3.698 3.995 . 0 0 "[ . 1 . 2]" 1
874 1 110 LEU H 1 110 LEU MD1 . . 3.250 2.596 2.198 2.850 . 0 0 "[ . 1 . 2]" 1
875 1 57 VAL H 1 66 ILE MD 6.000 . 6.000 4.547 3.982 4.936 . 0 0 "[ . 1 . 2]" 1
876 1 57 VAL H 1 67 LEU MD1 6.000 . 6.000 4.034 3.942 4.186 . 0 0 "[ . 1 . 2]" 1
877 1 30 PHE H 1 30 PHE HD1 4.700 . 4.700 3.553 2.405 4.584 . 0 0 "[ . 1 . 2]" 1
878 1 34 GLY H 1 92 ALA MB 6.000 . 6.000 3.589 3.478 3.687 . 0 0 "[ . 1 . 2]" 1
879 1 19 LEU H 1 19 LEU MD2 4.400 . 4.400 4.271 4.225 4.335 . 0 0 "[ . 1 . 2]" 1
880 1 66 ILE H 1 66 ILE MD 4.200 . 4.200 2.653 2.213 3.786 . 0 0 "[ . 1 . 2]" 1
881 1 76 ASP H 1 124 ILE MD 6.000 . 6.000 5.920 5.737 6.026 0.026 18 0 "[ . 1 . 2]" 1
882 1 76 ASP H 1 128 LEU MD1 6.000 . 6.000 3.300 2.386 4.078 . 0 0 "[ . 1 . 2]" 1
883 1 121 VAL H 1 121 VAL MG1 4.100 . 4.100 2.211 1.762 3.718 . 0 0 "[ . 1 . 2]" 1
884 1 84 ILE MG 1 133 ARG H 6.000 . 6.000 4.799 3.624 5.522 . 0 0 "[ . 1 . 2]" 1
885 1 78 LEU H 1 78 LEU MD2 5.800 . 5.800 3.895 3.518 4.264 . 0 0 "[ . 1 . 2]" 1
886 1 121 VAL MG1 1 123 GLU H 6.000 . 6.000 5.222 4.865 5.460 . 0 0 "[ . 1 . 2]" 1
887 1 10 LEU MD2 1 123 GLU H 6.000 . 6.000 5.608 4.443 6.018 0.018 8 0 "[ . 1 . 2]" 1
888 1 5 LEU H 1 5 LEU MD1 . . 4.500 4.063 4.006 4.180 . 0 0 "[ . 1 . 2]" 1
889 1 67 LEU MD1 1 69 LYS H 6.000 . 6.000 6.053 5.950 6.096 0.096 7 0 "[ . 1 . 2]" 1
890 1 50 VAL H 1 72 LEU MD1 6.000 . 6.000 4.189 3.894 5.965 . 0 0 "[ . 1 . 2]" 1
891 1 50 VAL H 1 50 VAL MG2 3.600 . 3.600 3.363 3.342 3.378 . 0 0 "[ . 1 . 2]" 1
892 1 50 VAL H 1 50 VAL MG1 . . 3.220 3.196 3.157 3.237 0.017 16 0 "[ . 1 . 2]" 1
893 1 50 VAL MG1 1 52 SER H 3.900 . 3.900 2.631 2.403 2.757 . 0 0 "[ . 1 . 2]" 1
894 1 101 ILE H 1 101 ILE MG . . 4.070 2.150 2.079 2.288 . 0 0 "[ . 1 . 2]" 1
895 1 35 GLU H 1 92 ALA MB 6.000 . 6.000 2.951 2.758 3.105 . 0 0 "[ . 1 . 2]" 1
896 1 32 ALA MB 1 35 GLU H 6.000 . 6.000 3.652 3.602 3.738 . 0 0 "[ . 1 . 2]" 1
897 1 50 VAL MG2 1 71 ASP H 6.000 . 6.000 4.620 4.365 4.868 . 0 0 "[ . 1 . 2]" 1
898 1 50 VAL MG1 1 71 ASP H 6.000 . 6.000 2.586 2.272 2.950 . 0 0 "[ . 1 . 2]" 1
899 1 109 VAL H 1 109 VAL MG1 4.600 . 4.600 2.341 2.267 2.434 . 0 0 "[ . 1 . 2]" 1
900 1 106 LEU MD2 1 109 VAL H 6.000 . 6.000 5.465 5.224 5.977 . 0 0 "[ . 1 . 2]" 1
901 1 11 PHE H 1 11 PHE HD1 5.000 . 5.000 1.842 1.429 4.561 . 0 0 "[ . 1 . 2]" 1
902 1 5 LEU MD1 1 8 LEU H 6.000 . 6.000 3.345 3.142 3.746 . 0 0 "[ . 1 . 2]" 1
903 1 110 LEU MD2 1 111 ARG H 6.000 . 6.000 4.930 4.800 5.001 . 0 0 "[ . 1 . 2]" 1
904 1 124 ILE MD 1 127 ASP H 6.000 . 6.000 5.203 4.822 5.843 . 0 0 "[ . 1 . 2]" 1
905 1 124 ILE MG 1 127 ASP H 6.000 . 6.000 4.157 4.047 4.820 . 0 0 "[ . 1 . 2]" 1
906 1 46 ALA H 1 46 ALA MB . . 3.220 2.364 2.013 2.697 . 0 0 "[ . 1 . 2]" 1
907 1 38 ILE H 1 38 ILE MD . . 3.880 3.868 3.779 3.935 0.055 16 0 "[ . 1 . 2]" 1
908 1 10 LEU H 1 10 LEU MD2 4.900 . 4.900 2.858 2.555 3.155 . 0 0 "[ . 1 . 2]" 1
909 1 110 LEU MD2 1 113 TYR H 6.000 . 6.000 5.721 5.581 5.831 . 0 0 "[ . 1 . 2]" 1
910 1 108 GLU H 1 109 VAL MG1 6.000 . 6.000 4.416 4.345 4.482 . 0 0 "[ . 1 . 2]" 1
911 1 57 VAL MG1 1 65 ALA H 6.000 . 6.000 3.510 2.850 4.134 . 0 0 "[ . 1 . 2]" 1
912 1 57 VAL MG2 1 65 ALA H 6.000 . 6.000 1.910 1.732 2.196 . 0 0 "[ . 1 . 2]" 1
913 1 5 LEU MD2 1 7 GLN H 6.000 . 6.000 4.057 3.145 4.930 . 0 0 "[ . 1 . 2]" 1
914 1 124 ILE MD 1 128 LEU H 6.000 . 6.000 5.293 4.313 6.023 0.023 13 0 "[ . 1 . 2]" 1
915 1 128 LEU H 1 128 LEU MD1 4.700 . 4.700 4.106 3.903 4.332 . 0 0 "[ . 1 . 2]" 1
916 1 14 ALA H 1 14 ALA MB 3.100 . 3.100 2.327 2.214 2.429 . 0 0 "[ . 1 . 2]" 1
917 1 73 ILE MD 1 130 TYR H 6.000 . 6.000 5.719 5.191 6.094 0.094 9 0 "[ . 1 . 2]" 1
918 1 72 LEU MD1 1 130 TYR H 6.000 . 6.000 5.132 2.676 5.694 . 0 0 "[ . 1 . 2]" 1
919 1 54 SER H 1 94 THR MG 6.000 . 6.000 4.035 3.643 4.346 . 0 0 "[ . 1 . 2]" 1
920 1 94 THR H 1 94 THR MG 4.500 . 4.500 3.305 2.663 3.928 . 0 0 "[ . 1 . 2]" 1
921 1 24 LEU H 1 24 LEU MD2 4.600 . 4.600 2.492 2.430 2.611 . 0 0 "[ . 1 . 2]" 1
922 1 86 THR MG 1 88 ALA H 5.000 . 5.000 2.655 2.016 4.388 . 0 0 "[ . 1 . 2]" 1
923 1 57 VAL MG2 1 88 ALA H 6.000 . 6.000 4.867 4.057 5.241 . 0 0 "[ . 1 . 2]" 1
924 1 14 ALA MB 1 18 CYS H 5.600 . 5.600 3.264 3.113 3.393 . 0 0 "[ . 1 . 2]" 1
925 1 75 SER H 1 132 LEU MD1 6.000 . 6.000 4.742 3.318 5.398 . 0 0 "[ . 1 . 2]" 1
926 1 73 ILE MD 1 75 SER H 6.000 . 6.000 4.624 4.099 5.719 . 0 0 "[ . 1 . 2]" 1
927 1 25 ILE MD 1 105 GLY HA2 2.300 . 2.300 2.369 2.352 2.387 0.087 9 0 "[ . 1 . 2]" 1
928 1 50 VAL HA 1 50 VAL MG1 . . 3.110 2.815 2.782 2.839 . 0 0 "[ . 1 . 2]" 1
929 1 50 VAL HA 1 50 VAL MG2 . . 3.714 2.106 2.080 2.130 . 0 0 "[ . 1 . 2]" 1
930 1 90 VAL HA 1 90 VAL MG2 3.700 . 3.700 2.219 2.095 2.303 . 0 0 "[ . 1 . 2]" 1
931 1 62 THR HA 1 62 THR MG 2.960 . 2.960 2.291 2.240 2.350 . 0 0 "[ . 1 . 2]" 1
932 1 25 ILE HA 1 25 ILE MG . . 3.268 3.135 3.128 3.140 . 0 0 "[ . 1 . 2]" 1
933 1 28 THR HA 1 28 THR MG 3.500 . 3.500 2.663 2.196 3.163 . 0 0 "[ . 1 . 2]" 1
934 1 73 ILE HA 1 73 ILE MD 3.650 . 3.650 2.395 2.071 3.045 . 0 0 "[ . 1 . 2]" 1
935 1 66 ILE HA 1 66 ILE MD . . 3.810 2.990 2.286 3.200 . 0 0 "[ . 1 . 2]" 1
936 1 24 LEU HA 1 24 LEU MD1 . . 3.110 2.214 2.029 2.316 . 0 0 "[ . 1 . 2]" 1
937 1 24 LEU HA 1 24 LEU MD2 . . 3.191 2.026 1.991 2.125 . 0 0 "[ . 1 . 2]" 1
938 1 93 LEU HA 1 93 LEU MD1 . . 4.130 2.026 2.007 2.043 . 0 0 "[ . 1 . 2]" 1
939 1 6 LEU HA 1 6 LEU MD2 4.540 . 4.540 3.972 3.308 4.089 . 0 0 "[ . 1 . 2]" 1
940 1 101 ILE HB 1 101 ILE MD . . 3.385 2.991 2.303 3.177 . 0 0 "[ . 1 . 2]" 1
941 1 73 ILE HB 1 73 ILE MD 3.300 . 3.300 2.321 2.114 3.160 . 0 0 "[ . 1 . 2]" 1
942 1 84 ILE HB 1 84 ILE MD 3.630 . 3.630 2.291 2.082 3.194 . 0 0 "[ . 1 . 2]" 1
943 1 124 ILE HB 1 124 ILE MD 3.650 . 3.650 2.606 2.478 2.818 . 0 0 "[ . 1 . 2]" 1
944 1 5 LEU HB2 1 5 LEU MD2 3.670 . 3.670 2.348 2.152 2.509 . 0 0 "[ . 1 . 2]" 1
945 1 44 LEU HB2 1 44 LEU MD1 . . 2.370 2.207 2.075 2.381 0.011 15 0 "[ . 1 . 2]" 1
946 1 110 LEU HA 1 110 LEU MD1 . . 2.830 2.019 1.957 2.197 . 0 0 "[ . 1 . 2]" 1
947 1 86 THR HA 1 86 THR MG 3.310 . 3.310 2.177 2.062 2.331 . 0 0 "[ . 1 . 2]" 1
948 1 6 LEU HA 1 6 LEU MD1 4.540 . 4.540 3.638 3.506 4.099 . 0 0 "[ . 1 . 2]" 1
949 1 79 THR HA 1 79 THR MG 2.620 . 2.620 2.146 2.114 2.223 . 0 0 "[ . 1 . 2]" 1
950 1 44 LEU HB2 1 44 LEU MD2 3.590 . 3.590 2.583 2.134 2.928 . 0 0 "[ . 1 . 2]" 1
951 1 63 VAL HA 1 63 VAL MG2 3.220 . 3.220 2.984 2.198 3.081 . 0 0 "[ . 1 . 2]" 1
952 1 63 VAL HA 1 63 VAL MG1 . . 2.700 2.137 2.087 2.568 . 0 0 "[ . 1 . 2]" 1
953 1 62 THR MG 1 66 ILE MD 3.600 . 3.600 3.428 3.380 3.488 . 0 0 "[ . 1 . 2]" 1
954 1 82 GLN HG2 1 83 VAL MG1 4.710 . 4.710 4.426 3.990 4.539 . 0 0 "[ . 1 . 2]" 1
955 1 83 VAL HA 1 83 VAL MG1 3.180 . 3.180 2.739 2.429 3.135 . 0 0 "[ . 1 . 2]" 1
956 1 83 VAL MG2 1 84 ILE HA 4.310 . 4.310 3.672 3.366 3.864 . 0 0 "[ . 1 . 2]" 1
957 1 90 VAL HA 1 90 VAL MG1 . . 3.140 2.540 2.386 2.651 . 0 0 "[ . 1 . 2]" 1
958 1 110 LEU HA 1 110 LEU MD2 4.060 . 4.060 3.683 3.666 3.716 . 0 0 "[ . 1 . 2]" 1
959 1 94 THR HA 1 94 THR MG 2.610 . 2.610 2.255 2.120 2.438 . 0 0 "[ . 1 . 2]" 1
960 1 110 LEU HA 1 117 ALA MB 3.510 . 3.510 2.891 2.769 3.106 . 0 0 "[ . 1 . 2]" 1
961 1 73 ILE HA 1 73 ILE MG 3.010 . 3.010 2.949 2.643 3.097 0.087 2 0 "[ . 1 . 2]" 1
962 1 38 ILE HA 1 38 ILE MG 3.030 . 3.030 2.858 2.536 3.063 0.033 15 0 "[ . 1 . 2]" 1
963 1 101 ILE HA 1 101 ILE MG 3.360 . 3.360 2.985 2.939 3.112 . 0 0 "[ . 1 . 2]" 1
964 1 101 ILE MD 1 101 ILE MG 2.740 . 2.740 1.714 1.635 1.754 . 0 0 "[ . 1 . 2]" 1
965 1 26 ILE HA 1 26 ILE MG 3.380 . 3.380 2.733 2.611 2.820 . 0 0 "[ . 1 . 2]" 1
966 1 84 ILE HA 1 84 ILE MG 3.200 . 3.200 2.304 2.081 2.554 . 0 0 "[ . 1 . 2]" 1
967 1 84 ILE MG 1 85 LYS H 4.360 . 4.360 2.606 2.237 3.470 . 0 0 "[ . 1 . 2]" 1
968 1 26 ILE HB 1 26 ILE MD 3.240 . 3.240 3.139 3.134 3.144 . 0 0 "[ . 1 . 2]" 1
969 1 26 ILE MD 1 26 ILE MG 2.460 . 2.460 1.739 1.712 1.762 . 0 0 "[ . 1 . 2]" 1
970 1 38 ILE HB 1 38 ILE MD 2.790 . 2.790 2.042 2.011 2.058 . 0 0 "[ . 1 . 2]" 1
971 1 38 ILE HA 1 38 ILE MD 3.670 . 3.670 3.014 2.554 3.397 . 0 0 "[ . 1 . 2]" 1
972 1 4 GLU HA 1 4 GLU HG3 3.640 . 3.640 2.777 2.191 3.599 . 0 0 "[ . 1 . 2]" 1
973 1 5 LEU HA 1 5 LEU MD1 3.380 . 3.380 2.555 1.953 3.160 . 0 0 "[ . 1 . 2]" 1
974 1 5 LEU HB3 1 5 LEU MD1 2.530 . 2.530 2.295 2.134 2.513 . 0 0 "[ . 1 . 2]" 1
975 1 10 LEU HA 1 10 LEU MD1 3.800 . 3.800 3.773 3.744 3.812 0.012 1 0 "[ . 1 . 2]" 1
976 1 12 GLU HA 1 12 GLU HG3 3.190 . 3.190 3.158 2.638 3.462 0.272 1 0 "[ . 1 . 2]" 1
977 1 12 GLU HB3 1 12 GLU HG3 2.260 . 2.260 2.376 2.352 2.427 0.167 20 0 "[ . 1 . 2]" 1
978 1 19 LEU HA 1 19 LEU MD1 2.820 . 2.820 1.978 1.924 2.131 . 0 0 "[ . 1 . 2]" 1
979 1 19 LEU HB2 1 19 LEU MD1 2.530 . 2.530 2.375 2.240 2.456 . 0 0 "[ . 1 . 2]" 1
980 1 11 PHE HB3 1 19 LEU MD1 2.540 . 2.540 2.616 2.527 2.779 0.239 1 0 "[ . 1 . 2]" 1
981 1 20 ARG HB3 1 20 ARG HG3 2.360 . 2.360 2.521 2.467 2.551 0.191 14 0 "[ . 1 . 2]" 1
982 1 22 LEU HA 1 22 LEU MD1 2.900 . 2.900 2.178 2.094 2.309 . 0 0 "[ . 1 . 2]" 1
983 1 24 LEU HB3 1 24 LEU MD1 2.400 . 2.400 2.206 2.155 2.293 . 0 0 "[ . 1 . 2]" 1
984 1 25 ILE HG13 1 25 ILE MG 2.630 . 2.630 2.776 2.758 2.794 0.164 7 0 "[ . 1 . 2]" 1
985 1 25 ILE HG13 1 26 ILE HA 4.960 . 4.960 5.085 5.056 5.110 0.150 10 0 "[ . 1 . 2]" 1
986 1 26 ILE HG13 1 26 ILE MG 3.170 . 3.170 2.381 2.353 2.414 . 0 0 "[ . 1 . 2]" 1
987 1 27 LYS HA 1 27 LYS HD3 . . 3.356 2.754 2.191 3.228 . 0 0 "[ . 1 . 2]" 1
988 1 29 SER HA 1 30 PHE HB3 5.340 . 5.340 4.641 4.206 5.381 0.041 4 0 "[ . 1 . 2]" 1
989 1 39 ARG HA 1 39 ARG HG3 3.480 . 3.480 3.171 2.939 3.630 0.150 18 0 "[ . 1 . 2]" 1
990 1 39 ARG HA 1 39 ARG HD3 . . 3.765 2.827 2.177 3.477 . 0 0 "[ . 1 . 2]" 1
991 1 39 ARG HB3 1 39 ARG HG3 2.350 . 2.350 2.452 2.407 2.508 0.158 10 0 "[ . 1 . 2]" 1
992 1 39 ARG HB3 1 39 ARG HD3 3.280 . 3.280 3.447 3.276 3.476 0.196 5 0 "[ . 1 . 2]" 1
993 1 40 GLN HA 1 40 GLN HG3 3.490 . 3.490 3.067 2.514 3.551 0.061 5 0 "[ . 1 . 2]" 1
994 1 42 ASP HB3 1 43 ALA MB 4.470 . 4.470 4.147 4.098 4.207 . 0 0 "[ . 1 . 2]" 1
995 1 44 LEU HA 1 44 LEU MD1 2.980 . 2.980 2.458 1.940 2.892 . 0 0 "[ . 1 . 2]" 1
996 1 45 GLN HA 1 45 GLN HG3 3.420 . 3.420 2.775 2.195 3.491 0.071 18 0 "[ . 1 . 2]" 1
997 1 47 ILE HA 1 47 ILE HG13 . . 3.574 2.579 2.221 3.091 . 0 0 "[ . 1 . 2]" 1
998 1 49 PHE HB3 1 50 VAL HB 5.340 . 5.340 5.518 5.458 5.567 0.227 9 0 "[ . 1 . 2]" 1
999 1 55 MET HA 1 55 MET HG3 3.670 . 3.670 3.416 2.283 3.661 . 0 0 "[ . 1 . 2]" 1
1000 1 59 LYS HA 1 59 LYS HG3 3.650 . 3.650 3.363 3.188 3.511 . 0 0 "[ . 1 . 2]" 1
1001 1 59 LYS HA 1 59 LYS HD3 . . 3.352 2.164 2.108 2.319 . 0 0 "[ . 1 . 2]" 1
1002 1 66 ILE HA 1 66 ILE HG13 3.650 . 3.650 2.463 2.176 3.936 0.286 3 0 "[ . 1 . 2]" 1
1003 1 67 LEU HA 1 67 LEU MD1 3.470 . 3.470 3.405 3.371 3.454 . 0 0 "[ . 1 . 2]" 1
1004 1 69 LYS HA 1 69 LYS HG3 3.670 . 3.670 2.869 2.169 3.471 . 0 0 "[ . 1 . 2]" 1
1005 1 69 LYS HB3 1 69 LYS QE 4.160 . 4.160 3.497 2.253 4.164 0.004 12 0 "[ . 1 . 2]" 1
1006 1 72 LEU MD1 1 73 ILE MG 4.190 . 4.190 3.606 3.286 3.825 . 0 0 "[ . 1 . 2]" 1
1007 1 73 ILE H 1 73 ILE HG13 4.220 . 4.220 3.753 2.700 4.252 0.032 12 0 "[ . 1 . 2]" 1
1008 1 78 LEU HA 1 78 LEU MD1 2.900 . 2.900 2.377 2.124 2.660 . 0 0 "[ . 1 . 2]" 1
1009 1 80 LYS HA 1 80 LYS QE 4.730 . 4.730 4.444 4.236 4.773 0.043 17 0 "[ . 1 . 2]" 1
1010 1 80 LYS HB3 1 80 LYS QE 3.730 . 3.730 3.242 2.178 3.966 0.236 17 0 "[ . 1 . 2]" 1
1011 1 80 LYS QE 1 80 LYS HG3 2.800 . 2.800 2.452 2.156 2.974 0.174 12 0 "[ . 1 . 2]" 1
1012 1 82 GLN HA 1 82 GLN HG3 3.610 . 3.610 3.004 2.492 3.650 0.040 12 0 "[ . 1 . 2]" 1
1013 1 82 GLN HB3 1 82 GLN HG3 2.250 . 2.250 2.414 2.360 2.614 0.364 17 0 "[ . 1 . 2]" 1
1014 1 90 VAL H 1 90 VAL MG1 3.470 . 3.470 3.538 3.473 3.610 0.140 9 0 "[ . 1 . 2]" 1
1015 1 91 LYS QB 1 91 LYS HD3 3.320 . 3.320 2.248 2.101 2.849 . 0 0 "[ . 1 . 2]" 1
1016 1 98 LEU HA 1 98 LEU MD1 3.920 . 3.920 3.498 3.334 3.791 . 0 0 "[ . 1 . 2]" 1
1017 1 103 LEU HB3 1 103 LEU MD1 2.510 . 2.510 2.333 2.162 2.520 0.010 8 0 "[ . 1 . 2]" 1
1018 1 104 LYS HA 1 104 LYS HG3 3.420 . 3.420 3.272 2.313 3.564 0.144 12 0 "[ . 1 . 2]" 1
1019 1 106 LEU HA 1 106 LEU MD1 3.700 . 3.700 3.240 2.734 3.452 . 0 0 "[ . 1 . 2]" 1
1020 1 22 LEU MD1 1 106 LEU HG 2.220 . 2.220 2.193 2.159 2.216 . 0 0 "[ . 1 . 2]" 1
1021 1 107 ARG HA 1 107 ARG HG3 3.520 . 3.520 3.083 2.607 3.568 0.048 17 0 "[ . 1 . 2]" 1
1022 1 107 ARG HA 1 107 ARG HD3 4.660 . 4.660 1.987 1.850 2.033 . 0 0 "[ . 1 . 2]" 1
1023 1 107 ARG HB3 1 107 ARG HD3 3.260 . 3.260 3.494 3.287 3.732 0.472 6 0 "[ . 1 . 2]" 1
1024 1 21 SER HA 1 109 VAL MG1 2.200 . 2.200 2.415 2.389 2.437 0.237 19 0 "[ . 1 . 2]" 1
1025 1 110 LEU HB2 1 110 LEU MD1 3.240 . 3.240 2.363 2.311 2.436 . 0 0 "[ . 1 . 2]" 1
1026 1 22 LEU MD1 1 110 LEU MD1 3.530 . 3.530 2.151 1.857 2.485 . 0 0 "[ . 1 . 2]" 1
1027 1 110 LEU MD1 1 117 ALA MB 4.130 . 4.130 3.507 3.401 3.635 . 0 0 "[ . 1 . 2]" 1
1028 1 111 ARG HA 1 111 ARG HD3 4.520 . 4.520 4.208 2.442 4.540 0.020 10 0 "[ . 1 . 2]" 1
1029 1 111 ARG HB3 1 111 ARG HD3 3.320 . 3.320 2.789 2.450 3.455 0.135 12 0 "[ . 1 . 2]" 1
1030 1 115 GLU HA 1 115 GLU HB3 2.600 . 2.600 2.496 2.351 2.636 0.036 3 0 "[ . 1 . 2]" 1
1031 1 115 GLU HA 1 115 GLU HG3 3.520 . 3.520 2.738 2.226 3.561 0.041 3 0 "[ . 1 . 2]" 1
1032 1 118 GLN HA 1 118 GLN HG3 3.650 . 3.650 3.635 3.615 3.683 0.033 6 0 "[ . 1 . 2]" 1
1033 1 118 GLN HB3 1 118 GLN HG3 2.320 . 2.320 2.382 2.307 2.401 0.081 15 0 "[ . 1 . 2]" 1
1034 1 121 VAL HA 1 121 VAL MG1 2.770 . 2.770 2.389 2.110 2.530 . 0 0 "[ . 1 . 2]" 1
1035 1 123 GLU HA 1 123 GLU HG3 2.840 . 2.840 2.419 2.201 2.698 . 0 0 "[ . 1 . 2]" 1
1036 1 123 GLU HA 1 126 HIS HB3 4.290 . 4.290 4.184 3.843 4.344 0.054 17 0 "[ . 1 . 2]" 1
1037 1 124 ILE HA 1 124 ILE HG13 3.160 . 3.160 2.677 2.539 2.910 . 0 0 "[ . 1 . 2]" 1
1038 1 78 LEU MD1 1 124 ILE MG 3.100 . 3.100 2.567 1.898 2.883 . 0 0 "[ . 1 . 2]" 1
1039 1 125 GLN HA 1 125 GLN HG3 . . 3.285 3.060 2.230 3.563 0.278 12 0 "[ . 1 . 2]" 1
1040 1 125 GLN HA 1 128 LEU MD1 5.260 . 5.260 3.762 3.000 4.694 . 0 0 "[ . 1 . 2]" 1
1041 1 125 GLN HB3 1 125 GLN HG3 2.280 . 2.280 2.466 2.336 2.537 0.257 3 0 "[ . 1 . 2]" 1
1042 1 128 LEU HA 1 128 LEU MD1 3.340 . 3.340 2.430 2.069 3.157 . 0 0 "[ . 1 . 2]" 1
1043 1 129 THR MG 1 130 TYR HB3 3.820 . 3.820 3.519 2.657 3.719 . 0 0 "[ . 1 . 2]" 1
1044 1 132 LEU HA 1 132 LEU MD1 3.690 . 3.690 2.810 2.154 3.441 . 0 0 "[ . 1 . 2]" 1
1045 1 133 ARG HA 1 133 ARG HG3 3.570 . 3.570 3.087 2.504 3.596 0.026 1 0 "[ . 1 . 2]" 1
1046 1 133 ARG HD3 1 133 ARG HG3 2.360 . 2.360 2.400 2.359 2.435 0.075 19 0 "[ . 1 . 2]" 1
1047 1 134 GLU HA 1 134 GLU HG3 3.690 . 3.690 3.523 2.789 3.730 0.040 11 0 "[ . 1 . 2]" 1
1048 1 10 LEU HB2 1 11 PHE HA 3.620 . 3.620 3.929 3.879 4.062 0.442 11 0 "[ . 1 . 2]" 1
1049 1 11 PHE HA 1 11 PHE HB2 2.200 . 2.200 2.389 2.276 2.629 0.429 20 0 "[ . 1 . 2]" 1
1050 1 10 LEU MD1 1 11 PHE HB3 2.200 . 2.200 2.355 2.188 2.485 0.285 20 0 "[ . 1 . 2]" 1
1051 1 10 LEU MD2 1 120 PHE HD1 2.200 . 2.200 2.275 2.172 2.388 0.188 13 0 "[ . 1 . 2]" 1
1052 1 25 ILE MG 1 105 GLY HA3 2.200 . 2.200 2.235 2.139 2.306 0.106 9 0 "[ . 1 . 2]" 1
1053 1 110 LEU MD2 1 117 ALA HA 3.200 . 3.200 2.025 1.932 2.110 . 0 0 "[ . 1 . 2]" 1
1054 1 110 LEU MD2 1 117 ALA MB 3.400 . 3.400 2.670 2.067 2.863 . 0 0 "[ . 1 . 2]" 1
1055 1 110 LEU HB2 1 117 ALA MB 3.400 . 3.400 3.216 3.157 3.235 . 0 0 "[ . 1 . 2]" 1
1056 1 58 LEU MD2 1 63 VAL HB 4.600 . 4.600 4.215 3.820 4.447 . 0 0 "[ . 1 . 2]" 1
1057 1 10 LEU HA 1 10 LEU MD2 3.428 . 3.428 3.725 3.646 3.778 0.350 13 0 "[ . 1 . 2]" 1
1058 1 13 SER HA 1 13 SER HB3 2.999 . 2.999 2.670 2.230 3.021 0.022 7 0 "[ . 1 . 2]" 1
1059 1 11 PHE HA 1 14 ALA MB 4.191 . 4.191 2.198 2.103 2.340 . 0 0 "[ . 1 . 2]" 1
1060 1 14 ALA MB 1 16 ARG HA 4.413 . 4.413 4.656 4.607 4.710 0.297 5 0 "[ . 1 . 2]" 1
1061 1 16 ARG HA 1 16 ARG HB3 2.981 . 2.981 2.598 2.396 2.823 . 0 0 "[ . 1 . 2]" 1
1062 1 15 SER HB3 1 17 GLY HA3 3.294 . 3.294 3.115 2.893 3.300 0.006 19 0 "[ . 1 . 2]" 1
1063 1 11 PHE HB3 1 18 CYS HB3 4.035 . 4.035 4.168 4.070 4.247 0.212 9 0 "[ . 1 . 2]" 1
1064 1 14 ALA MB 1 18 CYS HA 5.406 . 5.406 4.153 4.103 4.247 . 0 0 "[ . 1 . 2]" 1
1065 1 14 ALA MB 1 18 CYS HB3 5.725 . 5.725 2.113 2.026 2.246 . 0 0 "[ . 1 . 2]" 1
1066 1 14 ALA MB 1 18 CYS HB2 3.148 . 3.148 1.956 1.917 2.031 . 0 0 "[ . 1 . 2]" 1
1067 1 11 PHE HA 1 19 LEU HB2 4.357 . 4.357 4.383 4.179 4.471 0.114 13 0 "[ . 1 . 2]" 1
1068 1 20 ARG HA 1 20 ARG HB3 3.134 . 3.134 2.817 2.486 3.009 . 0 0 "[ . 1 . 2]" 1
1069 1 18 CYS HA 1 21 SER HA 4.410 . 4.410 4.620 4.570 4.689 0.279 4 0 "[ . 1 . 2]" 1
1070 1 21 SER HA 1 21 SER HB3 2.611 . 2.611 2.433 2.343 2.582 . 0 0 "[ . 1 . 2]" 1
1071 1 11 PHE HD1 1 22 LEU MD2 4.572 . 4.572 4.714 4.636 4.790 0.218 13 0 "[ . 1 . 2]" 1
1072 1 21 SER HA 1 24 LEU HB2 4.025 . 4.025 2.604 2.541 2.708 . 0 0 "[ . 1 . 2]" 1
1073 1 24 LEU HA 1 24 LEU HB3 2.750 . 2.750 2.805 2.777 2.825 0.075 3 0 "[ . 1 . 2]" 1
1074 1 22 LEU HB3 1 25 ILE MG 4.187 . 4.187 4.336 4.272 4.381 0.194 9 0 "[ . 1 . 2]" 1
1075 1 25 ILE HA 1 25 ILE HG12 4.062 . 4.062 3.468 3.457 3.475 . 0 0 "[ . 1 . 2]" 1
1076 1 23 SER HA 1 26 ILE HB 3.966 . 3.966 2.062 2.028 2.087 . 0 0 "[ . 1 . 2]" 1
1077 1 23 SER HA 1 26 ILE MD 3.912 . 3.912 3.585 3.573 3.596 . 0 0 "[ . 1 . 2]" 1
1078 1 23 SER HB2 1 26 ILE MD 4.109 . 4.109 4.478 4.447 4.516 0.407 13 0 "[ . 1 . 2]" 1
1079 1 23 SER HB2 1 26 ILE HG12 4.007 . 4.007 3.879 3.855 3.907 . 0 0 "[ . 1 . 2]" 1
1080 1 23 SER HB2 1 26 ILE MG 4.267 . 4.267 4.267 4.176 4.322 0.055 19 0 "[ . 1 . 2]" 1
1081 1 26 ILE HG12 1 26 ILE MG 3.714 . 3.714 3.159 3.149 3.164 . 0 0 "[ . 1 . 2]" 1
1082 1 27 LYS HA 1 27 LYS HG2 3.241 . 3.241 2.868 2.150 3.460 0.219 13 0 "[ . 1 . 2]" 1
1083 1 30 PHE HB3 1 30 PHE HD1 3.649 . 3.649 3.419 2.477 3.753 0.104 9 0 "[ . 1 . 2]" 1
1084 1 30 PHE HB2 1 30 PHE HD1 3.583 . 3.583 2.831 2.456 3.734 0.151 3 0 "[ . 1 . 2]" 1
1085 1 32 ALA HA 1 33 PRO HD3 4.107 . 4.107 2.142 2.108 2.162 . 0 0 "[ . 1 . 2]" 1
1086 1 32 ALA MB 1 33 PRO HD3 3.209 . 3.209 2.711 2.642 2.792 . 0 0 "[ . 1 . 2]" 1
1087 1 32 ALA HA 1 33 PRO HD2 3.773 . 3.773 3.089 2.969 3.200 . 0 0 "[ . 1 . 2]" 1
1088 1 32 ALA MB 1 33 PRO HD2 3.411 . 3.411 2.101 2.081 2.119 . 0 0 "[ . 1 . 2]" 1
1089 1 31 CYS HB3 1 35 GLU HB3 2.788 . 2.788 2.870 2.821 2.900 0.112 9 0 "[ . 1 . 2]" 1
1090 1 32 ALA MB 1 35 GLU HB3 3.132 . 3.132 3.227 3.165 3.297 0.165 16 0 "[ . 1 . 2]" 1
1091 1 32 ALA MB 1 35 GLU HG3 3.655 . 3.655 3.001 2.142 3.711 0.056 2 0 "[ . 1 . 2]" 1
1092 1 35 GLU HA 1 35 GLU HB3 2.713 . 2.713 2.943 2.928 2.968 0.255 16 0 "[ . 1 . 2]" 1
1093 1 35 GLU HA 1 35 GLU HG3 3.245 . 3.245 2.743 2.204 3.400 0.155 15 0 "[ . 1 . 2]" 1
1094 1 35 GLU HB3 1 35 GLU HG3 2.555 . 2.555 2.633 2.571 2.705 0.150 16 0 "[ . 1 . 2]" 1
1095 1 37 LEU HB3 1 37 LEU MD1 3.535 . 3.535 3.032 2.246 3.190 . 0 0 "[ . 1 . 2]" 1
1096 1 44 LEU HA 1 44 LEU MD2 3.455 . 3.455 3.618 3.535 3.693 0.238 18 0 "[ . 1 . 2]" 1
1097 1 47 ILE HB 1 47 ILE HG13 3.078 . 3.078 2.734 2.496 3.036 . 0 0 "[ . 1 . 2]" 1
1098 1 49 PHE HD1 1 51 CYS HA 4.047 . 4.047 4.083 3.841 4.138 0.091 13 0 "[ . 1 . 2]" 1
1099 1 52 SER HA 1 52 SER HB3 2.886 . 2.886 2.794 2.569 2.927 0.041 16 0 "[ . 1 . 2]" 1
1100 1 58 LEU HA 1 58 LEU MD1 3.679 . 3.679 3.192 2.124 3.687 0.008 4 0 "[ . 1 . 2]" 1
1101 1 59 LYS HA 1 59 LYS HB3 3.099 . 3.099 2.933 2.858 3.014 . 0 0 "[ . 1 . 2]" 1
1102 1 60 ASP HA 1 60 ASP HB3 2.844 . 2.844 2.588 2.380 2.904 0.060 1 0 "[ . 1 . 2]" 1
1103 1 62 THR HA 1 62 THR HB 2.880 . 2.880 3.005 3.001 3.011 0.131 6 0 "[ . 1 . 2]" 1
1104 1 58 LEU HA 1 63 VAL HA 3.548 . 3.548 2.107 2.024 2.161 . 0 0 "[ . 1 . 2]" 1
1105 1 62 THR HA 1 63 VAL MG2 4.404 . 4.404 3.295 3.116 3.986 . 0 0 "[ . 1 . 2]" 1
1106 1 57 VAL MG2 1 64 LEU HB3 5.434 . 5.434 2.197 1.910 3.093 . 0 0 "[ . 1 . 2]" 1
1107 1 57 VAL MG2 1 64 LEU MD1 4.856 . 4.856 3.382 2.642 3.730 . 0 0 "[ . 1 . 2]" 1
1108 1 59 LYS HA 1 64 LEU MD1 3.846 . 3.846 3.871 3.580 3.990 0.144 6 0 "[ . 1 . 2]" 1
1109 1 59 LYS HB3 1 64 LEU MD1 4.973 . 4.973 1.927 1.891 2.003 . 0 0 "[ . 1 . 2]" 1
1110 1 59 LYS HB2 1 64 LEU MD1 4.908 . 4.908 2.701 2.094 3.235 . 0 0 "[ . 1 . 2]" 1
1111 1 62 THR HB 1 64 LEU MD1 3.942 . 3.942 3.919 3.418 4.042 0.100 16 0 "[ . 1 . 2]" 1
1112 1 64 LEU HB2 1 64 LEU MD1 3.467 . 3.467 2.114 2.067 2.196 . 0 0 "[ . 1 . 2]" 1
1113 1 57 VAL MG1 1 65 ALA MB . . 3.940 1.882 1.773 2.364 . 0 0 "[ . 1 . 2]" 1
1114 1 56 GLU HA 1 66 ILE HA 4.324 . 4.324 3.303 3.057 3.540 . 0 0 "[ . 1 . 2]" 1
1115 1 56 GLU HB2 1 66 ILE MD 3.767 . 3.767 3.753 2.882 3.921 0.154 16 0 "[ . 1 . 2]" 1
1116 1 65 ALA HA 1 66 ILE MD 4.393 . 4.393 3.061 2.670 4.402 0.009 1 0 "[ . 1 . 2]" 1
1117 1 57 VAL MG1 1 67 LEU MD1 4.058 . 4.058 3.754 3.601 3.925 . 0 0 "[ . 1 . 2]" 1
1118 1 65 ALA MB 1 67 LEU MD1 3.939 . 3.939 3.587 3.322 3.945 0.006 8 0 "[ . 1 . 2]" 1
1119 1 54 SER HA 1 68 GLY HA3 4.235 . 4.235 4.039 3.738 4.211 . 0 0 "[ . 1 . 2]" 1
1120 1 69 LYS HA 1 69 LYS HB3 3.132 . 3.132 2.442 2.304 3.018 . 0 0 "[ . 1 . 2]" 1
1121 1 49 PHE HD1 1 70 GLY HA3 4.366 . 4.366 4.550 4.480 4.610 0.244 3 0 "[ . 1 . 2]" 1
1122 1 69 LYS HB3 1 70 GLY HA3 4.477 . 4.477 4.539 4.496 4.599 0.122 8 0 "[ . 1 . 2]" 1
1123 1 67 LEU HB2 1 71 ASP HB3 2.720 . 2.720 2.246 2.112 2.411 . 0 0 "[ . 1 . 2]" 1
1124 1 49 PHE HA 1 72 LEU HG 4.435 . 4.435 4.479 4.233 4.686 0.251 15 0 "[ . 1 . 2]" 1
1125 1 48 TYR HB2 1 73 ILE HB 3.720 . 3.720 3.976 2.792 4.166 0.446 13 0 "[ . 1 . 2]" 1
1126 1 48 TYR QD 1 73 ILE HB 4.236 . 4.236 4.287 2.954 4.448 0.212 16 0 "[ . 1 . 2]" 1
1127 1 48 TYR QD 1 73 ILE HG13 2.958 . 2.958 2.639 2.019 3.052 0.094 15 0 "[ . 1 . 2]" 1
1128 1 73 ILE HB 1 73 ILE HG12 3.080 . 3.080 2.487 2.419 2.565 . 0 0 "[ . 1 . 2]" 1
1129 1 44 LEU MD1 1 74 GLY HA3 5.008 . 5.008 3.969 2.878 5.022 0.014 16 0 "[ . 1 . 2]" 1
1130 1 77 SER HA 1 77 SER HB3 3.100 . 3.100 2.826 2.550 3.025 . 0 0 "[ . 1 . 2]" 1
1131 1 47 ILE MG 1 78 LEU MD2 3.124 . 3.124 3.157 3.120 3.214 0.090 17 0 "[ . 1 . 2]" 1
1132 1 78 LEU HB3 1 78 LEU MD2 3.418 . 3.418 2.365 2.140 2.552 . 0 0 "[ . 1 . 2]" 1
1133 1 80 LYS HA 1 80 LYS HB2 2.801 . 2.801 2.489 2.314 2.622 . 0 0 "[ . 1 . 2]" 1
1134 1 82 GLN HA 1 82 GLN HB3 2.783 . 2.783 2.879 2.783 2.985 0.202 5 0 "[ . 1 . 2]" 1
1135 1 83 VAL HB 1 83 VAL MG1 . . 2.567 2.132 2.105 2.150 . 0 0 "[ . 1 . 2]" 1
1136 1 43 ALA HA 1 85 LYS HA 3.327 . 3.327 2.285 2.156 3.071 . 0 0 "[ . 1 . 2]" 1
1137 1 43 ALA HA 1 85 LYS HB2 4.031 . 4.031 4.057 3.920 4.214 0.183 17 0 "[ . 1 . 2]" 1
1138 1 85 LYS HD3 1 85 LYS HE3 2.200 . 2.200 2.273 2.241 2.319 0.119 14 0 "[ . 1 . 2]" 1
1139 1 85 LYS HB3 1 85 LYS HG3 2.891 . 2.891 2.994 2.966 3.017 0.126 7 0 "[ . 1 . 2]" 1
1140 1 38 ILE MG 1 86 THR HB 3.731 . 3.731 3.330 2.528 3.931 0.200 9 0 "[ . 1 . 2]" 1
1141 1 38 ILE HG12 1 86 THR MG 2.819 . 2.819 2.260 2.050 2.824 0.005 12 0 "[ . 1 . 2]" 1
1142 1 57 VAL HA 1 88 ALA MB 4.010 . 4.010 4.100 4.046 4.156 0.146 18 0 "[ . 1 . 2]" 1
1143 1 57 VAL MG2 1 88 ALA MB 3.527 . 3.527 2.309 1.865 2.717 . 0 0 "[ . 1 . 2]" 1
1144 1 59 LYS HB3 1 88 ALA HA 3.995 . 3.995 4.034 3.839 4.123 0.128 8 0 "[ . 1 . 2]" 1
1145 1 64 LEU MD1 1 88 ALA MB 2.980 . 2.980 3.125 3.047 3.193 0.213 4 0 "[ . 1 . 2]" 1
1146 1 38 ILE HG12 1 89 ASN HA 4.163 . 4.163 4.389 4.148 4.553 0.390 8 0 "[ . 1 . 2]" 1
1147 1 58 LEU HB3 1 89 ASN HB3 4.392 . 4.392 4.189 2.996 4.465 0.073 3 0 "[ . 1 . 2]" 1
1148 1 58 LEU HB2 1 89 ASN HB2 4.226 . 4.226 3.763 2.754 4.328 0.102 5 0 "[ . 1 . 2]" 1
1149 1 38 ILE HA 1 90 VAL HB 3.740 . 3.740 3.955 3.916 4.013 0.273 13 0 "[ . 1 . 2]" 1
1150 1 38 ILE HB 1 90 VAL MG2 3.556 . 3.556 3.203 2.689 3.882 0.326 17 0 "[ . 1 . 2]" 1
1151 1 57 VAL HA 1 90 VAL HA 4.159 . 4.159 2.044 2.009 2.097 . 0 0 "[ . 1 . 2]" 1
1152 1 57 VAL MG1 1 90 VAL HA 4.339 . 4.339 3.366 2.650 3.965 . 0 0 "[ . 1 . 2]" 1
1153 1 57 VAL MG1 1 90 VAL MG2 . . 4.083 2.097 1.807 2.515 . 0 0 "[ . 1 . 2]" 1
1154 1 57 VAL MG2 1 90 VAL MG2 4.268 . 4.268 3.914 3.728 4.071 . 0 0 "[ . 1 . 2]" 1
1155 1 89 ASN HA 1 90 VAL MG2 5.234 . 5.234 3.898 3.769 4.119 . 0 0 "[ . 1 . 2]" 1
1156 1 36 PHE QD 1 91 LYS QB 4.784 . 4.784 2.896 2.300 3.539 . 0 0 "[ . 1 . 2]" 1
1157 1 31 CYS HB3 1 92 ALA MB 3.548 . 3.548 2.052 1.940 2.248 . 0 0 "[ . 1 . 2]" 1
1158 1 35 GLU HB3 1 92 ALA MB 3.345 . 3.345 2.580 2.366 2.775 . 0 0 "[ . 1 . 2]" 1
1159 1 55 MET HA 1 92 ALA HA 4.183 . 4.183 2.234 2.139 2.548 . 0 0 "[ . 1 . 2]" 1
1160 1 55 MET HB3 1 92 ALA HA 4.132 . 4.132 2.395 2.128 3.761 . 0 0 "[ . 1 . 2]" 1
1161 1 55 MET HG2 1 92 ALA HA 4.264 . 4.264 4.162 2.179 4.378 0.114 11 0 "[ . 1 . 2]" 1
1162 1 54 SER HB2 1 93 LEU HB2 3.679 . 3.679 2.869 2.463 3.420 . 0 0 "[ . 1 . 2]" 1
1163 1 54 SER HB2 1 93 LEU MD2 3.590 . 3.590 3.579 3.410 3.636 0.046 4 0 "[ . 1 . 2]" 1
1164 1 55 MET HA 1 93 LEU MD2 3.959 . 3.959 3.983 3.898 4.020 0.061 4 0 "[ . 1 . 2]" 1
1165 1 95 TYR HB3 1 95 TYR HD2 3.393 . 3.393 2.338 2.322 2.423 . 0 0 "[ . 1 . 2]" 1
1166 1 53 GLY HA2 1 96 CYS HA 4.171 . 4.171 3.680 3.538 3.782 . 0 0 "[ . 1 . 2]" 1
1167 1 30 PHE HA 1 97 ASP HA 3.813 . 3.813 3.113 2.502 3.221 . 0 0 "[ . 1 . 2]" 1
1168 1 30 PHE HB3 1 97 ASP HA 4.837 . 4.837 3.799 3.150 4.356 . 0 0 "[ . 1 . 2]" 1
1169 1 52 SER HB3 1 97 ASP HB3 4.918 . 4.918 4.642 4.081 4.936 0.018 2 0 "[ . 1 . 2]" 1
1170 1 29 SER HB3 1 98 LEU MD1 4.920 . 4.920 4.940 4.820 4.969 0.049 13 0 "[ . 1 . 2]" 1
1171 1 96 CYS HB3 1 98 LEU MD1 4.748 . 4.748 4.219 2.888 4.820 0.072 2 0 "[ . 1 . 2]" 1
1172 1 98 LEU HB2 1 98 LEU MD1 2.990 . 2.990 2.151 2.100 2.501 . 0 0 "[ . 1 . 2]" 1
1173 1 28 THR HA 1 99 GLN HA 3.852 . 3.852 2.570 2.177 2.973 . 0 0 "[ . 1 . 2]" 1
1174 1 29 SER HB3 1 100 TYR QE 3.371 . 3.371 3.026 2.693 3.155 . 0 0 "[ . 1 . 2]" 1
1175 1 46 ALA MB 1 100 TYR QE 3.383 . 3.383 3.394 3.321 3.605 0.222 7 0 "[ . 1 . 2]" 1
1176 1 48 TYR HA 1 100 TYR HA 4.724 . 4.724 2.601 2.384 3.088 . 0 0 "[ . 1 . 2]" 1
1177 1 48 TYR QD 1 100 TYR HB3 4.218 . 4.218 2.661 2.187 3.607 . 0 0 "[ . 1 . 2]" 1
1178 1 26 ILE MD 1 101 ILE MG 2.915 . 2.915 2.976 2.947 3.038 0.123 13 0 "[ . 1 . 2]" 1
1179 1 46 ALA MB 1 102 SER HA 4.078 . 4.078 2.197 2.082 2.571 . 0 0 "[ . 1 . 2]" 1
1180 1 46 ALA MB 1 102 SER HB2 4.031 . 4.031 4.050 3.979 4.152 0.121 4 0 "[ . 1 . 2]" 1
1181 1 46 ALA HA 1 103 LEU HB2 3.684 . 3.684 3.638 3.354 3.769 0.085 7 0 "[ . 1 . 2]" 1
1182 1 103 LEU HA 1 103 LEU MD1 3.409 . 3.409 2.582 2.111 3.595 0.186 18 0 "[ . 1 . 2]" 1
1183 1 102 SER HB2 1 104 LYS HG2 4.934 . 4.934 4.664 2.711 4.971 0.037 16 0 "[ . 1 . 2]" 1
1184 1 25 ILE HB 1 105 GLY HA2 4.550 . 4.550 3.824 3.664 3.917 . 0 0 "[ . 1 . 2]" 1
1185 1 22 LEU MD2 1 109 VAL HB 4.731 . 4.731 5.150 5.099 5.203 0.472 7 0 "[ . 1 . 2]" 1
1186 1 109 VAL HA 1 109 VAL MG1 3.468 . 3.468 2.274 2.244 2.295 . 0 0 "[ . 1 . 2]" 1
1187 1 107 ARG HA 1 110 LEU MD1 4.918 . 4.918 4.167 3.412 4.800 . 0 0 "[ . 1 . 2]" 1
1188 1 118 GLN HA 1 118 GLN HB3 2.715 . 2.715 2.487 2.333 2.518 . 0 0 "[ . 1 . 2]" 1
1189 1 116 TYR HA 1 119 LYS HB3 3.915 . 3.915 2.964 2.488 3.463 . 0 0 "[ . 1 . 2]" 1
1190 1 78 LEU MD2 1 120 PHE HD1 3.268 . 3.268 3.472 3.297 3.571 0.303 7 0 "[ . 1 . 2]" 1
1191 1 120 PHE HD1 1 121 VAL HA 3.788 . 3.788 3.906 3.859 3.952 0.164 12 0 "[ . 1 . 2]" 1
1192 1 10 LEU MD2 1 124 ILE HA 3.885 . 3.885 3.994 3.901 4.089 0.204 17 0 "[ . 1 . 2]" 1
1193 1 76 ASP HA 1 124 ILE MD 3.914 . 3.914 3.873 3.639 3.984 0.070 2 0 "[ . 1 . 2]" 1
1194 1 76 ASP HA 1 124 ILE MG 4.421 . 4.421 3.421 3.104 3.966 . 0 0 "[ . 1 . 2]" 1
1195 1 124 ILE HA 1 124 ILE HB 3.108 . 3.108 2.694 2.656 2.745 . 0 0 "[ . 1 . 2]" 1
1196 1 124 ILE HA 1 124 ILE MD 4.043 . 4.043 3.660 3.589 3.713 . 0 0 "[ . 1 . 2]" 1
1197 1 125 GLN HA 1 125 GLN HB3 2.929 . 2.929 2.481 2.243 2.814 . 0 0 "[ . 1 . 2]" 1
1198 1 126 HIS HA 1 126 HIS HB3 2.807 . 2.807 2.942 2.589 3.001 0.194 1 0 "[ . 1 . 2]" 1
1199 1 76 ASP HB2 1 128 LEU MD1 4.348 . 4.348 3.363 2.019 4.297 . 0 0 "[ . 1 . 2]" 1
1200 1 73 ILE MD 1 130 TYR HB3 5.337 . 5.337 4.416 3.420 5.390 0.053 16 0 "[ . 1 . 2]" 1
1201 1 73 ILE MG 1 130 TYR HB3 5.336 . 5.336 5.129 4.222 5.448 0.112 6 0 "[ . 1 . 2]" 1
1202 1 38 ILE MD 1 132 LEU MD1 4.311 . 4.311 4.380 4.311 4.462 0.151 1 0 "[ . 1 . 2]" 1
1203 1 130 TYR QD 1 132 LEU HA 3.531 . 3.531 3.548 3.199 3.764 0.233 6 0 "[ . 1 . 2]" 1
1204 1 75 SER HB3 1 133 ARG HA 2.842 . 2.842 2.864 2.722 2.939 0.097 9 0 "[ . 1 . 2]" 1
1205 1 133 ARG HA 1 133 ARG HB3 2.901 . 2.901 2.691 2.348 2.978 0.077 14 0 "[ . 1 . 2]" 1
1206 1 133 ARG HB3 1 133 ARG HD3 3.014 . 3.014 2.945 2.594 3.047 0.033 6 0 "[ . 1 . 2]" 1
1207 1 87 ASN HB2 1 134 GLU HA 3.656 . 3.656 3.639 3.206 3.708 0.052 17 0 "[ . 1 . 2]" 1
1208 1 65 ALA MB 1 130 TYR QD 3.848 . 3.848 3.206 2.831 3.476 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 113
_Distance_constraint_stats_list.Viol_count 1147
_Distance_constraint_stats_list.Viol_total 2621.380
_Distance_constraint_stats_list.Viol_max 0.453
_Distance_constraint_stats_list.Viol_rms 0.0862
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0580
_Distance_constraint_stats_list.Viol_average_violations_only 0.1143
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 15 SER 6.893 0.261 13 0 "[ . 1 . 2]"
1 16 ARG 0.317 0.063 15 0 "[ . 1 . 2]"
1 17 GLY 0.452 0.118 6 0 "[ . 1 . 2]"
1 18 CYS 3.119 0.157 17 0 "[ . 1 . 2]"
1 19 LEU 7.665 0.261 13 0 "[ . 1 . 2]"
1 20 ARG 2.232 0.167 8 0 "[ . 1 . 2]"
1 21 SER 10.677 0.411 4 0 "[ . 1 . 2]"
1 22 LEU 8.679 0.247 1 0 "[ . 1 . 2]"
1 23 SER 0.772 0.127 4 0 "[ . 1 . 2]"
1 24 LEU 1.915 0.167 8 0 "[ . 1 . 2]"
1 25 ILE 10.225 0.411 4 0 "[ . 1 . 2]"
1 26 ILE 5.560 0.247 1 0 "[ . 1 . 2]"
1 27 LYS 3.626 0.272 7 0 "[ . 1 . 2]"
1 29 SER 0.315 0.058 3 0 "[ . 1 . 2]"
1 31 CYS 1.303 0.111 19 0 "[ . 1 . 2]"
1 35 GLU 10.883 0.426 16 0 "[ . 1 . 2]"
1 37 LEU 1.862 0.158 19 0 "[ . 1 . 2]"
1 38 ILE 9.347 0.283 20 0 "[ . 1 . 2]"
1 40 GLN 3.960 0.273 3 0 "[ . 1 . 2]"
1 42 ASP 2.734 0.174 7 0 "[ . 1 . 2]"
1 44 LEU 1.147 0.145 2 0 "[ . 1 . 2]"
1 47 ILE 4.315 0.342 7 0 "[ . 1 . 2]"
1 48 TYR 4.457 0.236 7 0 "[ . 1 . 2]"
1 49 PHE 1.634 0.137 17 0 "[ . 1 . 2]"
1 50 VAL 2.603 0.180 1 0 "[ . 1 . 2]"
1 51 CYS 0.021 0.012 16 0 "[ . 1 . 2]"
1 52 SER 0.401 0.079 2 0 "[ . 1 . 2]"
1 54 SER 4.546 0.148 8 0 "[ . 1 . 2]"
1 55 MET 6.067 0.156 12 0 "[ . 1 . 2]"
1 56 GLU 1.006 0.130 16 0 "[ . 1 . 2]"
1 57 VAL 8.415 0.291 11 0 "[ . 1 . 2]"
1 58 LEU 3.567 0.258 14 0 "[ . 1 . 2]"
1 65 ALA 8.415 0.291 11 0 "[ . 1 . 2]"
1 67 LEU 6.067 0.156 12 0 "[ . 1 . 2]"
1 70 GLY 2.506 0.180 1 0 "[ . 1 . 2]"
1 71 ASP 0.097 0.046 6 0 "[ . 1 . 2]"
1 72 LEU 2.088 0.192 2 0 "[ . 1 . 2]"
1 73 ILE 4.457 0.236 7 0 "[ . 1 . 2]"
1 84 ILE 1.147 0.145 2 0 "[ . 1 . 2]"
1 86 THR 2.734 0.174 7 0 "[ . 1 . 2]"
1 88 ALA 3.960 0.273 3 0 "[ . 1 . 2]"
1 89 ASN 3.567 0.258 14 0 "[ . 1 . 2]"
1 90 VAL 11.209 0.283 20 0 "[ . 1 . 2]"
1 91 LYS 1.006 0.130 16 0 "[ . 1 . 2]"
1 92 ALA 10.883 0.426 16 0 "[ . 1 . 2]"
1 93 LEU 0.675 0.116 18 0 "[ . 1 . 2]"
1 94 THR 3.871 0.148 8 0 "[ . 1 . 2]"
1 96 CYS 1.303 0.111 19 0 "[ . 1 . 2]"
1 97 ASP 0.422 0.079 2 0 "[ . 1 . 2]"
1 98 LEU 0.315 0.058 3 0 "[ . 1 . 2]"
1 99 GLN 1.634 0.137 17 0 "[ . 1 . 2]"
1 100 TYR 3.626 0.272 7 0 "[ . 1 . 2]"
1 101 ILE 4.315 0.342 7 0 "[ . 1 . 2]"
1 102 SER 0.145 0.058 19 0 "[ . 1 . 2]"
1 103 LEU 0.236 0.074 8 0 "[ . 1 . 2]"
1 104 LYS 0.554 0.064 5 0 "[ . 1 . 2]"
1 105 GLY 1.951 0.096 9 0 "[ . 1 . 2]"
1 106 LEU 0.145 0.058 19 0 "[ . 1 . 2]"
1 107 ARG 3.490 0.235 8 0 "[ . 1 . 2]"
1 108 GLU 3.656 0.235 17 0 "[ . 1 . 2]"
1 109 VAL 13.502 0.453 16 0 "[ . 1 . 2]"
1 110 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 ARG 3.254 0.235 8 0 "[ . 1 . 2]"
1 112 LEU 3.102 0.235 17 0 "[ . 1 . 2]"
1 113 TYR 12.378 0.453 16 0 "[ . 1 . 2]"
1 114 PRO 0.060 0.041 19 0 "[ . 1 . 2]"
1 115 GLU 4.889 0.287 16 0 "[ . 1 . 2]"
1 116 TYR 0.951 0.208 16 0 "[ . 1 . 2]"
1 117 ALA 0.826 0.101 20 0 "[ . 1 . 2]"
1 118 GLN 0.060 0.041 19 0 "[ . 1 . 2]"
1 119 LYS 4.889 0.287 16 0 "[ . 1 . 2]"
1 120 PHE 0.951 0.208 16 0 "[ . 1 . 2]"
1 130 TYR 2.088 0.192 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 27 LYS H 1 100 TYR O 1.800 . 2.300 2.469 2.367 2.572 0.272 7 0 "[ . 1 . 2]" 2
2 1 27 LYS N 1 100 TYR O 2.800 2.800 3.300 3.068 2.970 3.158 . 0 0 "[ . 1 . 2]" 2
3 1 29 SER H 1 98 LEU O 1.800 . 2.300 2.130 1.885 2.285 . 0 0 "[ . 1 . 2]" 2
4 1 29 SER N 1 98 LEU O 2.800 2.800 3.300 2.942 2.761 3.112 0.039 7 0 "[ . 1 . 2]" 2
5 1 31 CYS H 1 96 CYS O 1.800 . 2.300 2.333 2.170 2.411 0.111 19 0 "[ . 1 . 2]" 2
6 1 31 CYS N 1 96 CYS O 2.800 2.800 3.300 3.280 3.119 3.334 0.034 14 0 "[ . 1 . 2]" 2
7 1 35 GLU H 1 92 ALA O 1.800 . 2.300 2.666 2.625 2.726 0.426 16 0 "[ . 1 . 2]" 2
8 1 35 GLU N 1 92 ALA O 2.800 2.800 3.300 3.314 3.263 3.382 0.082 18 0 "[ . 1 . 2]" 2
9 1 37 LEU H 1 90 VAL O 1.800 . 2.300 1.865 1.794 2.104 0.006 19 0 "[ . 1 . 2]" 2
10 1 37 LEU N 1 90 VAL O 2.800 2.800 3.300 2.711 2.642 2.881 0.158 19 0 "[ . 1 . 2]" 2
11 1 38 ILE H 1 90 VAL O 1.800 . 2.300 2.536 2.460 2.583 0.283 20 0 "[ . 1 . 2]" 2
12 1 38 ILE N 1 90 VAL O 2.800 2.800 3.300 3.424 3.363 3.495 0.195 18 0 "[ . 1 . 2]" 2
13 1 42 ASP H 1 86 THR O 1.800 . 2.300 2.397 2.330 2.474 0.174 7 0 "[ . 1 . 2]" 2
14 1 42 ASP N 1 86 THR O 2.800 2.800 3.300 3.072 2.908 3.222 . 0 0 "[ . 1 . 2]" 2
15 1 40 GLN H 1 88 ALA O 1.800 . 2.300 2.446 2.311 2.573 0.273 3 0 "[ . 1 . 2]" 2
16 1 40 GLN N 1 88 ALA O 2.800 2.800 3.300 2.753 2.657 2.872 0.143 14 0 "[ . 1 . 2]" 2
17 1 44 LEU N 1 84 ILE O 2.800 2.800 3.300 2.753 2.655 2.954 0.145 2 0 "[ . 1 . 2]" 2
18 1 47 ILE H 1 101 ILE O 1.800 . 2.300 2.320 2.156 2.410 0.110 9 0 "[ . 1 . 2]" 2
19 1 47 ILE N 1 101 ILE O 2.800 2.800 3.300 3.201 2.960 3.344 0.044 14 0 "[ . 1 . 2]" 2
20 1 48 TYR H 1 73 ILE O 1.800 . 2.300 2.443 2.345 2.536 0.236 7 0 "[ . 1 . 2]" 2
21 1 48 TYR N 1 73 ILE O 2.800 2.800 3.300 3.335 3.197 3.438 0.138 7 0 "[ . 1 . 2]" 2
22 1 49 PHE H 1 99 GLN O 1.800 . 2.300 1.939 1.785 2.389 0.089 7 0 "[ . 1 . 2]" 2
23 1 49 PHE N 1 99 GLN O 2.800 2.800 3.300 2.749 2.663 3.070 0.137 17 0 "[ . 1 . 2]" 2
24 1 50 VAL H 1 71 ASP O 1.800 . 2.300 2.096 1.793 2.331 0.031 10 0 "[ . 1 . 2]" 2
25 1 50 VAL N 1 71 ASP O 2.800 2.800 3.300 3.039 2.754 3.303 0.046 6 0 "[ . 1 . 2]" 2
26 1 51 CYS H 1 97 ASP O 1.800 . 2.300 2.190 1.983 2.312 0.012 16 0 "[ . 1 . 2]" 2
27 1 51 CYS N 1 97 ASP O 2.800 2.800 3.300 3.160 2.961 3.279 . 0 0 "[ . 1 . 2]" 2
28 1 54 SER H 1 94 THR O 1.800 . 2.300 2.407 2.373 2.448 0.148 8 0 "[ . 1 . 2]" 2
29 1 54 SER N 1 94 THR O 2.800 2.800 3.300 3.377 3.346 3.411 0.111 17 0 "[ . 1 . 2]" 2
30 1 55 MET H 1 67 LEU O 1.800 . 2.300 2.428 2.376 2.456 0.156 12 0 "[ . 1 . 2]" 2
31 1 55 MET N 1 67 LEU O 2.800 2.800 3.300 3.400 3.341 3.436 0.136 11 0 "[ . 1 . 2]" 2
32 1 56 GLU H 1 91 LYS O 1.800 . 2.300 2.324 2.174 2.430 0.130 16 0 "[ . 1 . 2]" 2
33 1 56 GLU N 1 91 LYS O 2.800 2.800 3.300 3.229 3.106 3.309 0.009 12 0 "[ . 1 . 2]" 2
34 1 57 VAL H 1 65 ALA O 1.800 . 2.300 2.252 2.064 2.386 0.086 1 0 "[ . 1 . 2]" 2
35 1 57 VAL N 1 65 ALA O 2.800 2.800 3.300 3.084 2.920 3.222 . 0 0 "[ . 1 . 2]" 2
36 1 58 LEU H 1 89 ASN O 1.800 . 2.300 1.923 1.653 2.134 0.147 12 0 "[ . 1 . 2]" 2
37 1 58 LEU N 1 89 ASN O 2.800 2.800 3.300 2.696 2.542 2.845 0.258 14 0 "[ . 1 . 2]" 2
38 1 57 VAL O 1 65 ALA H 1.800 . 2.300 2.544 2.490 2.591 0.291 11 0 "[ . 1 . 2]" 2
39 1 57 VAL O 1 65 ALA N 2.800 2.800 3.300 3.464 3.412 3.541 0.241 11 0 "[ . 1 . 2]" 2
40 1 55 MET O 1 67 LEU H 1.800 . 2.300 2.366 2.314 2.403 0.103 1 0 "[ . 1 . 2]" 2
41 1 55 MET O 1 67 LEU N 2.800 2.800 3.300 3.298 3.247 3.337 0.037 18 0 "[ . 1 . 2]" 2
42 1 50 VAL O 1 70 GLY H 1.800 . 2.300 1.976 1.906 2.132 . 0 0 "[ . 1 . 2]" 2
43 1 50 VAL O 1 70 GLY N 2.800 2.800 3.300 2.675 2.620 2.761 0.180 1 0 "[ . 1 . 2]" 2
44 1 48 TYR O 1 73 ILE H 1.800 . 2.300 2.061 1.702 2.423 0.123 8 0 "[ . 1 . 2]" 2
45 1 48 TYR O 1 73 ILE N 2.800 2.800 3.300 3.027 2.673 3.375 0.127 15 0 "[ . 1 . 2]" 2
46 1 42 ASP O 1 86 THR H 1.800 . 2.300 2.204 1.870 2.455 0.155 19 0 "[ . 1 . 2]" 2
47 1 42 ASP O 1 86 THR N 2.800 2.800 3.300 2.914 2.717 3.080 0.083 5 0 "[ . 1 . 2]" 2
48 1 58 LEU O 1 89 ASN H 1.800 . 2.300 2.324 2.108 2.411 0.111 13 0 "[ . 1 . 2]" 2
49 1 58 LEU O 1 89 ASN N 2.800 2.800 3.300 3.167 2.966 3.274 . 0 0 "[ . 1 . 2]" 2
50 1 38 ILE O 1 90 VAL H 1.800 . 2.300 1.818 1.658 2.033 0.142 18 0 "[ . 1 . 2]" 2
51 1 38 ILE O 1 90 VAL N 2.800 2.800 3.300 2.752 2.600 2.955 0.200 18 0 "[ . 1 . 2]" 2
52 1 56 GLU O 1 91 LYS H 1.800 . 2.300 1.957 1.901 2.031 . 0 0 "[ . 1 . 2]" 2
53 1 56 GLU O 1 91 LYS N 2.800 2.800 3.300 2.923 2.852 3.000 . 0 0 "[ . 1 . 2]" 2
54 1 35 GLU O 1 92 ALA H 1.800 . 2.300 1.774 1.686 1.842 0.114 18 0 "[ . 1 . 2]" 2
55 1 35 GLU O 1 92 ALA N 2.800 2.800 3.300 2.676 2.638 2.721 0.162 18 0 "[ . 1 . 2]" 2
56 1 54 SER O 1 93 LEU H 1.800 . 2.300 2.301 2.174 2.416 0.116 18 0 "[ . 1 . 2]" 2
57 1 54 SER O 1 93 LEU N 2.800 2.800 3.300 2.873 2.746 2.984 0.054 8 0 "[ . 1 . 2]" 2
58 1 54 SER O 1 94 THR H 1.800 . 2.300 1.896 1.771 2.120 0.029 9 0 "[ . 1 . 2]" 2
59 1 54 SER O 1 94 THR N 2.800 2.800 3.300 2.862 2.747 3.073 0.053 9 0 "[ . 1 . 2]" 2
60 1 31 CYS O 1 96 CYS H 1.800 . 2.300 2.291 2.151 2.399 0.099 16 0 "[ . 1 . 2]" 2
61 1 31 CYS O 1 96 CYS N 2.800 2.800 3.300 3.221 3.109 3.319 0.019 16 0 "[ . 1 . 2]" 2
62 1 52 SER O 1 97 ASP H 1.800 . 2.300 2.304 2.141 2.379 0.079 2 0 "[ . 1 . 2]" 2
63 1 52 SER O 1 97 ASP N 2.800 2.800 3.300 3.140 2.986 3.228 . 0 0 "[ . 1 . 2]" 2
64 1 29 SER O 1 98 LEU H 1.800 . 2.300 2.267 2.023 2.358 0.058 3 0 "[ . 1 . 2]" 2
65 1 29 SER O 1 98 LEU N 2.800 2.800 3.300 2.981 2.800 3.094 . 0 0 "[ . 1 . 2]" 2
66 1 49 PHE O 1 99 GLN H 1.800 . 2.300 1.959 1.787 2.192 0.013 10 0 "[ . 1 . 2]" 2
67 1 49 PHE O 1 99 GLN N 2.800 2.800 3.300 2.897 2.753 3.113 0.047 10 0 "[ . 1 . 2]" 2
68 1 27 LYS O 1 100 TYR H 1.800 . 2.300 2.244 1.977 2.351 0.051 15 0 "[ . 1 . 2]" 2
69 1 27 LYS O 1 100 TYR N 2.800 2.800 3.300 3.105 2.921 3.257 . 0 0 "[ . 1 . 2]" 2
70 1 47 ILE O 1 101 ILE H 1.800 . 2.300 2.457 2.339 2.642 0.342 7 0 "[ . 1 . 2]" 2
71 1 47 ILE O 1 101 ILE N 2.800 2.800 3.300 3.298 3.200 3.447 0.147 7 0 "[ . 1 . 2]" 2
72 1 72 LEU O 1 130 TYR H 1.800 . 2.300 2.404 2.309 2.492 0.192 2 0 "[ . 1 . 2]" 2
73 1 72 LEU O 1 130 TYR N 2.800 2.800 3.300 3.159 3.033 3.297 . 0 0 "[ . 1 . 2]" 2
74 1 15 SER O 1 19 LEU H 1.800 . 2.300 2.515 2.431 2.561 0.261 13 0 "[ . 1 . 2]" 2
75 1 15 SER O 1 19 LEU N 2.800 2.800 3.300 3.430 3.350 3.478 0.178 13 0 "[ . 1 . 2]" 2
76 1 16 ARG O 1 20 ARG H 1.800 . 2.300 1.969 1.871 2.064 . 0 0 "[ . 1 . 2]" 2
77 1 16 ARG O 1 20 ARG N 2.800 2.800 3.300 2.811 2.737 2.889 0.063 15 0 "[ . 1 . 2]" 2
78 1 17 GLY O 1 21 SER H 1.800 . 2.300 2.025 1.810 2.284 . 0 0 "[ . 1 . 2]" 2
79 1 17 GLY O 1 21 SER N 2.800 2.800 3.300 2.849 2.682 3.035 0.118 6 0 "[ . 1 . 2]" 2
80 1 18 CYS O 1 22 LEU H 1.800 . 2.300 1.747 1.681 1.814 0.119 17 0 "[ . 1 . 2]" 2
81 1 18 CYS O 1 22 LEU N 2.800 2.800 3.300 2.698 2.643 2.748 0.157 17 0 "[ . 1 . 2]" 2
82 1 19 LEU O 1 23 SER H 1.800 . 2.300 1.849 1.744 1.950 0.056 4 0 "[ . 1 . 2]" 2
83 1 19 LEU O 1 23 SER N 2.800 2.800 3.300 2.787 2.673 2.894 0.127 4 0 "[ . 1 . 2]" 2
84 1 20 ARG O 1 24 LEU H 1.800 . 2.300 1.958 1.861 2.178 . 0 0 "[ . 1 . 2]" 2
85 1 20 ARG O 1 24 LEU N 2.800 2.800 3.300 2.709 2.633 2.888 0.167 8 0 "[ . 1 . 2]" 2
86 1 21 SER O 1 25 ILE H 1.800 . 2.300 2.662 2.615 2.711 0.411 4 0 "[ . 1 . 2]" 2
87 1 21 SER O 1 25 ILE N 2.800 2.800 3.300 3.449 3.390 3.505 0.205 15 0 "[ . 1 . 2]" 2
88 1 22 LEU O 1 26 ILE H 1.800 . 2.300 2.434 2.337 2.521 0.221 11 0 "[ . 1 . 2]" 2
89 1 22 LEU O 1 26 ILE N 2.800 2.800 3.300 2.656 2.553 2.735 0.247 1 0 "[ . 1 . 2]" 2
90 1 102 SER O 1 106 LEU H 1.800 . 2.300 1.931 1.768 2.045 0.032 19 0 "[ . 1 . 2]" 2
91 1 102 SER O 1 106 LEU N 2.800 2.800 3.300 2.878 2.742 2.991 0.058 19 0 "[ . 1 . 2]" 2
92 1 103 LEU O 1 107 ARG H 1.800 . 2.300 1.977 1.794 2.195 0.006 8 0 "[ . 1 . 2]" 2
93 1 103 LEU O 1 107 ARG N 2.800 2.800 3.300 2.911 2.726 3.142 0.074 8 0 "[ . 1 . 2]" 2
94 1 104 LYS O 1 108 GLU H 1.800 . 2.300 2.283 2.011 2.364 0.064 5 0 "[ . 1 . 2]" 2
95 1 104 LYS O 1 108 GLU N 2.800 2.800 3.300 3.098 2.821 3.221 . 0 0 "[ . 1 . 2]" 2
96 1 105 GLY O 1 109 VAL H 1.800 . 2.300 2.355 2.199 2.396 0.096 9 0 "[ . 1 . 2]" 2
97 1 105 GLY O 1 109 VAL N 2.800 2.800 3.300 3.326 3.159 3.366 0.066 10 0 "[ . 1 . 2]" 2
98 1 106 LEU O 1 110 LEU H 1.800 . 2.300 2.043 1.923 2.187 . 0 0 "[ . 1 . 2]" 2
99 1 106 LEU O 1 110 LEU N 2.800 2.800 3.300 2.955 2.844 3.025 . 0 0 "[ . 1 . 2]" 2
100 1 107 ARG O 1 111 ARG H 1.800 . 2.300 2.012 1.872 2.183 . 0 0 "[ . 1 . 2]" 2
101 1 107 ARG O 1 111 ARG N 2.800 2.800 3.300 2.637 2.565 2.801 0.235 8 0 "[ . 1 . 2]" 2
102 1 108 GLU O 1 112 LEU H 1.800 . 2.300 2.453 2.385 2.535 0.235 17 0 "[ . 1 . 2]" 2
103 1 108 GLU O 1 112 LEU N 2.800 2.800 3.300 3.224 3.155 3.341 0.041 17 0 "[ . 1 . 2]" 2
104 1 109 VAL O 1 113 TYR H 1.800 . 2.300 2.692 2.602 2.753 0.453 16 0 "[ . 1 . 2]" 2
105 1 109 VAL O 1 113 TYR N 2.800 2.800 3.300 3.486 3.452 3.540 0.240 16 0 "[ . 1 . 2]" 2
106 1 113 TYR O 1 117 ALA H 1.800 . 2.300 1.991 1.902 2.269 . 0 0 "[ . 1 . 2]" 2
107 1 113 TYR O 1 117 ALA N 2.800 2.800 3.300 2.781 2.699 3.042 0.101 20 0 "[ . 1 . 2]" 2
108 1 114 PRO O 1 118 GLN H 1.800 . 2.300 1.991 1.815 2.296 . 0 0 "[ . 1 . 2]" 2
109 1 114 PRO O 1 118 GLN N 2.800 2.800 3.300 2.950 2.759 3.265 0.041 19 0 "[ . 1 . 2]" 2
110 1 115 GLU O 1 119 LYS H 1.800 . 2.300 2.501 2.468 2.587 0.287 16 0 "[ . 1 . 2]" 2
111 1 115 GLU O 1 119 LYS N 2.800 2.800 3.300 3.343 3.299 3.431 0.131 16 0 "[ . 1 . 2]" 2
112 1 116 TYR O 1 120 PHE H 1.800 . 2.300 2.186 1.937 2.317 0.017 9 0 "[ . 1 . 2]" 2
113 1 116 TYR O 1 120 PHE N 2.800 2.800 3.300 2.776 2.592 2.894 0.208 16 0 "[ . 1 . 2]" 2
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